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

C12H14N2O3 — CID 69195937

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

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

(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid (PubChem CID 69195937) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is (2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
PubChem CID69195937
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name(2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid
SMILESO=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)O
InChIInChI=1S/C12H14N2O3/c15-11(13-9-5-2-1-3-6-9)10-7-4-8-14(10)12(16)17/h1-3,5-6,10H,4,7-8H2,(H,13,15)(H,16,17)/t10-/m0/s1
InChIKeyAGDVWZXFVUKFFQ-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

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Related Compounds

N-(4-anilinophenyl)-1-(cyclopentanecarbonyl)pyrrolidine-2-carboxamide
CID 166197699
(2R)-1-N-(4-fluorophenyl)-2-N-phenylpyrrolidine-1,2-dicarboxamide
CID 1445832
2-N-(4-fluorophenyl)-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814809
(2S)-1-[(2S)-2-aminopropanoyl]-N-phenylpyrrolidine-2-carboxamide
CID 22809937
1-butanoyl-N-phenylpyrrolidine-2-carboxamide
CID 47156007
2-[(3-fluorophenyl)carbamoyl]piperidine-1-carboxylic acid
CID 175733290
(2S)-2-[[4-(1,3-dithiolan-2-yl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 174166269
(2S)-1-(4-methylbenzoyl)-N-phenylpyrrolidine-2-carboxamide
CID 92668343
1-(3,3-dimethylbutanoyl)-N-phenylpyrrolidine-2-carboxamide
CID 134005373
2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 22181596
(2S)-2-[[4-[5-[4-[[(2S)-1-carboxypyrrolidine-2-carbonyl]amino]phenyl]-1,3,4-oxadiazol-2-yl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 70941882
(2S)-2-[[4-[2-[4-(cyclobutanecarbonylamino)phenyl]ethynyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 129159208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid (CID 69195937) is (2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid is O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)O.
What is the InChIKey of (2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid?
The InChIKey is AGDVWZXFVUKFFQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H14N2O3/c15-11(13-9-5-2-1-3-6-9)10-7-4-8-14(10)12(16)17/h1-3,5-6,10H,4,7-8H2,(H,13,15)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid?
(2S)-2-(phenylcarbamoyl)pyrrolidine-1-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)-2-(phenylcarbamoyl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69195937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).