(2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride

C6H11ClN2O3 — CID 118872885

IUPAC(2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.NC(=O)[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H10N2O3.ClH/c7-5(9)3-1-4(6(10)11)8-2-3;/h3-4,8H,1-2H2,(H2,7,9)(H,10,11);1H/t3-,4+;/m1./s1
InChIKeyATOXKFUEHSUEOV-HJXLNUONSA-N
MW194.62 g/mol
LogP-1.04
Rot. Bonds2

About (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride

(2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 118872885) has the molecular formula C6H11ClN2O3 and a molecular weight of 194.62 g/mol. Its IUPAC name is (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID118872885
Molecular FormulaC6H11ClN2O3
Molecular Weight194.62 g/mol
Exact Mass194.05
IUPAC Name(2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride
SMILESCl.NC(=O)[C@H]1CN[C@H](C(=O)O)C1
InChIInChI=1S/C6H10N2O3.ClH/c7-5(9)3-1-4(6(10)11)8-2-3;/h3-4,8H,1-2H2,(H2,7,9)(H,10,11);1H/t3-,4+;/m1./s1
InChIKeyATOXKFUEHSUEOV-HJXLNUONSA-N
XLogP-1.04
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride (CID 118872885) is (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride is Cl.NC(=O)[C@H]1CN[C@H](C(=O)O)C1.
What is the InChIKey of (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is ATOXKFUEHSUEOV-HJXLNUONSA-N. The full InChI is InChI=1S/C6H10N2O3.ClH/c7-5(9)3-1-4(6(10)11)8-2-3;/h3-4,8H,1-2H2,(H2,7,9)(H,10,11);1H/t3-,4+;/m1./s1.
What are the key properties of (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride?
(2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 194.62 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-carbamoylpyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 118872885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).