1-phenylpyrrolidine-2-carboxylic acid

C11H13NO2 — CID 15157507

IUPAC1-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)
InChIKeyZZMSDLWVAMNVOD-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.74
Rot. Bonds2

About 1-phenylpyrrolidine-2-carboxylic acid

1-phenylpyrrolidine-2-carboxylic acid (PubChem CID 15157507) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 1-phenylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-phenylpyrrolidine-2-carboxylic acid
PubChem CID15157507
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name1-phenylpyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1c1ccccc1
InChIInChI=1S/C11H13NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14)
InChIKeyZZMSDLWVAMNVOD-UHFFFAOYSA-N
XLogP1.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Phenyliminodiacetic acid
CID 136915
1-(Phenylcarbamoyl)proline
CID 2946785
1-[(4-Fluorophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 651715
2-(Phenylamino)butanoic acid
CID 266764
N-Methyl-N-phenyl-glycine
CID 420843
1-(4-Chlorophenyl)pyrrolidine-2-carboxylic acid
CID 15157505
2-(Acetylanilino)propanoic acid
CID 11842278
Methyl 5-oxo-1-phenylprolinate
CID 42260998
(2S)-1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 671077
5-Oxo-1-phenylpyrrolidine-2-carboxylic acid
CID 12248488
2-[Methyl(phenyl)amino]acetic acid hydrochloride
CID 12285742
(S)-1-(4-Cyanophenyl)pyrrolidine-2-carboxylic acid
CID 28410936

Frequently Asked Questions

What is the IUPAC name of 1-phenylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-phenylpyrrolidine-2-carboxylic acid (CID 15157507) is 1-phenylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-phenylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-phenylpyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1c1ccccc1.
What is the InChIKey of 1-phenylpyrrolidine-2-carboxylic acid?
The InChIKey is ZZMSDLWVAMNVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c13-11(14)10-7-4-8-12(10)9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,13,14).
What are the key properties of 1-phenylpyrrolidine-2-carboxylic acid?
1-phenylpyrrolidine-2-carboxylic acid has a molecular weight of 191.23 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 15157507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).