1.0 2020-03-10 17:01:59 UTC 2020-04-22 18:56:21 UTC BMDB0096148 BMDB96148 N-Nitrosoproline 1-Nitroso-L-proline 1-Nitrosoproline (acd/name 4.0) N-Nitroso-L-proline Nitroso-L-proline Nitrosoproline NO-Pro NPRO Nitrosoproline, (cis)-isomer Nitrosoproline, (trans)-isomer Nitrosoproline, 14C-labeled CPD Nitrosoproline, (D,L)-isomer Nitrosoproline, (D)-isomer 1-Nitrosopyrrolidine-2-carboxylate N-Nitrosoproline C5H8N2O3 144.1286 144.053492132 1-nitrosopyrrolidine-2-carboxylic acid nitrosoproline 7519-36-0 OC(=O)C1CCCN1N=O InChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9) WLKPHJWEIIAIFW-UHFFFAOYSA-N belongs to the class of organic compounds known as proline and derivatives. Proline and derivatives are compounds containing proline or a derivative thereof resulting from reaction of proline at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom. Organic compounds Organic acids and derivatives Carboxylic acids and derivatives Amino acids, peptides, and analogues Proline and derivatives Azacyclic compounds Carbonyl compounds Carboxylic acids Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic N-nitroso compounds Organic oxides Organopnictogen compounds Pyrrolidine carboxylic acids Aliphatic heteromonocyclic compound Azacycle Carbonyl group Carboxylic acid Hydrocarbon derivative Monocarboxylic acid or derivatives Organic n-nitroso compound Organic nitrogen compound Organic nitroso compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Proline or derivatives Pyrrolidine Pyrrolidine carboxylic acid Pyrrolidine carboxylic acid or derivatives Aliphatic heteromonocyclic compounds logp -0.19 ALOGPS logs -0.52 ALOGPS logp 0.013 ChemAxon pka_strongest_acidic 3.73 ChemAxon pka_strongest_basic 2.78 ChemAxon iupac 1-nitrosopyrrolidine-2-carboxylic acid ChemAxon average_mass 144.1286 ChemAxon mono_mass 144.053492132 ChemAxon smiles OC(=O)C1CCCN1N=O ChemAxon formula C5H8N2O3 ChemAxon inchi InChI=1S/C5H8N2O3/c8-5(9)4-2-1-3-7(4)6-10/h4H,1-3H2,(H,8,9) ChemAxon inchikey WLKPHJWEIIAIFW-UHFFFAOYSA-N ChemAxon polar_surface_area 69.97 ChemAxon refractivity 33.42 ChemAxon polarizability 12.92 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 50822 Specdb::NmrOneD 50823 Specdb::NmrOneD 50824 Specdb::NmrOneD 50825 Specdb::NmrOneD 50826 Specdb::NmrOneD 50827 Specdb::NmrOneD 50828 Specdb::NmrOneD 50829 Specdb::NmrOneD 50830 Specdb::NmrOneD 50831 Specdb::NmrOneD 50832 Specdb::NmrOneD 50833 Specdb::NmrOneD 50834 Specdb::NmrOneD 50835 Specdb::NmrOneD 50836 Specdb::NmrOneD 50837 Specdb::NmrOneD 50838 Specdb::NmrOneD 50839 Specdb::NmrOneD 50840 Specdb::NmrOneD 50841 Specdb::MsIr 9469 Specdb::MsIr 9470 Specdb::MsIr 9471 Specdb::CMs 19927 Specdb::CMs 47628 Specdb::CMs 166810 Specdb::MsMs 61029 Specdb::MsMs 61030 Specdb::MsMs 61031 Specdb::MsMs 117486 Specdb::MsMs 117487 Specdb::MsMs 117488 Specdb::MsMs 2703704 Specdb::MsMs 2703705 Specdb::MsMs 2703706 Specdb::MsMs 3001726 Specdb::MsMs 3001727 Specdb::MsMs 3001728 FDB111682 22565 C19485 24141 Nitrosoproline