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

C6H11NO4 — CID 67621740

IUPACformic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.O=CO
InChIInChI=1S/C5H9NO2.CH2O2/c7-5(8)4-2-1-3-6-4;2-1-3/h4,6H,1-3H2,(H,7,8);1H,(H,2,3)/t4-;/m0./s1
InChIKeyFAPVTLNZAZKHIH-WCCKRBBISA-N
MW161.16 g/mol
LogP-0.48
Rot. Bonds1

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

formic acid;(2S)-pyrrolidine-2-carboxylic acid (PubChem CID 67621740) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is formic acid;(2S)-pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Nameformic acid;(2S)-pyrrolidine-2-carboxylic acid
PubChem CID67621740
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Nameformic acid;(2S)-pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1.O=CO
InChIInChI=1S/C5H9NO2.CH2O2/c7-5(8)4-2-1-3-6-4;2-1-3/h4,6H,1-3H2,(H,7,8);1H,(H,2,3)/t4-;/m0./s1
InChIKeyFAPVTLNZAZKHIH-WCCKRBBISA-N
XLogP-0.48
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze formic acid;(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
aluminum;pyrrolidine-2-carboxylic acid;zirconium(2+)
CID 19939640
(2S,6S)-1,5-diazonane-2,6-dicarboxylic acid
CID 70834767

Frequently Asked Questions

What is the IUPAC name of formic acid;(2S)-pyrrolidine-2-carboxylic acid?
The IUPAC name of formic acid;(2S)-pyrrolidine-2-carboxylic acid (CID 67621740) is formic acid;(2S)-pyrrolidine-2-carboxylic acid.
What is the SMILES notation for formic acid;(2S)-pyrrolidine-2-carboxylic acid?
The canonical SMILES for formic acid;(2S)-pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1.O=CO.
What is the InChIKey of formic acid;(2S)-pyrrolidine-2-carboxylic acid?
The InChIKey is FAPVTLNZAZKHIH-WCCKRBBISA-N. The full InChI is InChI=1S/C5H9NO2.CH2O2/c7-5(8)4-2-1-3-6-4;2-1-3/h4,6H,1-3H2,(H,7,8);1H,(H,2,3)/t4-;/m0./s1.
What are the key properties of formic acid;(2S)-pyrrolidine-2-carboxylic acid?
formic acid;(2S)-pyrrolidine-2-carboxylic acid has a molecular weight of 161.16 g/mol, XLogP of -0.48, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;(2S)-pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67621740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).