(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H14N2O3 — CID 671077

IUPAC(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O3/c15-11(16)10-7-4-8-14(10)12(17)13-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyZEEAHHXBZHTCOI-JTQLQIEISA-N
MW234.25 g/mol
LogP1.77
Rot. Bonds2

About (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 671077) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID671077
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C12H14N2O3/c15-11(16)10-7-4-8-14(10)12(17)13-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,17)(H,15,16)/t10-/m0/s1
InChIKeyZEEAHHXBZHTCOI-JTQLQIEISA-N
XLogP1.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(phenylcarbamoyl)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

[(Anilinocarbonyl)amino]acetic acid
CID 230718
1-(Phenylcarbamoyl)proline
CID 2946785
5-Oxo-1-phenyl-2-thioxo-4-imidazolidinepropanoic acid
CID 2872155
(2S)-1-((2S)-2-((1-Carboxy-4-((4-iodophenyl)amino)-4-oxobutyl)amino)propanoyl)pyrrolidine-2-carboxylic acid
CID 44317124
1-[2-[[1-Carboxy-4-(4-iodoanilino)-4-oxobutyl]amino]propanoyl]pyrrolidine-2-carboxylic acid
CID 44337769
1-[(4-Fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 651715
1-[(4-Chlorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 9550269
2-((Phenylcarbamoyl)amino)propanoic acid
CID 3854733
(2-Oxo-2,3-dihydro-1H-benzimidazol-1-yl)acetic acid
CID 10845408
N-[(2-fluorophenyl)carbamoyl]-L-valine
CID 946864
N-(4-Anilino-1-carboxy-4-oxobutyl)-L-alanyl-L-proline
CID 20834249
(S)-1-(o-tolylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 28510125

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 671077) is (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZEEAHHXBZHTCOI-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(16)10-7-4-8-14(10)12(17)13-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,17)(H,15,16)/t10-/m0/s1.
What are the key properties of (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 234.25 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 671077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).