nitroxyl;(2S)-pyrrolidine-2-carboxylic acid

C5H10N2O3 — CID 145376752

IUPACnitroxyl;(2S)-pyrrolidine-2-carboxylic acid
SMILESN=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.HNO/c7-5(8)4-2-1-3-6-4;1-2/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1
InChIKeyMPPYLBDBVQAPRQ-WCCKRBBISA-N
MW146.15 g/mol
LogP0.15
Rot. Bonds1

About nitroxyl;(2S)-pyrrolidine-2-carboxylic acid

nitroxyl;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 145376752) has the molecular formula C5H10N2O3 and a molecular weight of 146.15 g/mol. Its IUPAC name is nitroxyl;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Namenitroxyl;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID145376752
Molecular FormulaC5H10N2O3
Molecular Weight146.15 g/mol
Exact Mass146.07
IUPAC Namenitroxyl;(2S)-pyrrolidine-2-carboxylic acid
SMILESN=O.O=C(O)[C@@H]1CCCN1
InChIInChI=1S/C5H9NO2.HNO/c7-5(8)4-2-1-3-6-4;1-2/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1
InChIKeyMPPYLBDBVQAPRQ-WCCKRBBISA-N
XLogP0.15
TPSA90.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.15
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze nitroxyl;(2S)-pyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hydrogen peroxide;(2S)-pyrrolidine-2-carboxylic acid
CID 158114560
pyrrolidine-2-carboxylic acid
CID 614
(213C)azolidine-2-carboxylic acid
CID 10290769
argon;(2S)-pyrrolidine-2-carboxylic acid
CID 160825816
pyrrolidine-2-carboxylic acid;yttrium
CID 21344974
potassium (2R)-pyrrolidine-2-carboxylic acid
CID 177481174
(2R)-pyrrolidine-2-carboxylic acid;zinc
CID 175434284
bis((2S)-pyrrolidine-2-carboxylic acid);hydrate
CID 67110713
pyrrolidine-2-carboxylic acid;silver
CID 87701112
carbonic acid;(2S)-pyrrolidine-2-carboxylic acid
CID 70552648
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767
CID 145362144
CID 145362144

Frequently Asked Questions

What is the IUPAC name of nitroxyl;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of nitroxyl;(2S)-pyrrolidine-2-carboxylic acid (CID 145376752) is nitroxyl;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for nitroxyl;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for nitroxyl;(2S)-pyrrolidine-2-carboxylic acid is N=O.O=C(O)[C@@H]1CCCN1.
What is the InChIKey of nitroxyl;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is MPPYLBDBVQAPRQ-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.HNO/c7-5(8)4-2-1-3-6-4;1-2/h4,6H,1-3H2,(H,7,8);1H/t4-;/m0./s1.
What are the key properties of nitroxyl;(2S)-pyrrolidine-2-carboxylic acid?
nitroxyl;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 146.15 g/mol, XLogP of 0.15, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nitroxyl;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 145376752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).