1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid

C12H14N2O3 — CID 2946785

IUPAC1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=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)
InChIKeyZEEAHHXBZHTCOI-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.77
Rot. Bonds2

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

1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid (PubChem CID 2946785) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
PubChem CID2946785
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=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)
InChIKeyZEEAHHXBZHTCOI-UHFFFAOYSA-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

[(Anilinocarbonyl)amino]acetic acid
CID 230718
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
4-Hydroxy-1-(phenylcarbamothioyl)pyrrolidine-2-carboxylic acid
CID 2872333

Frequently Asked Questions

What is the IUPAC name of 1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid (CID 2946785) is 1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZEEAHHXBZHTCOI-UHFFFAOYSA-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).
What are the key properties of 1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid?
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 1-(phenylcarbamoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 2946785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).