2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid

C13H16N2O3 — CID 62536138

IUPAC2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-10-5-1-2-6-11(10)14-13(18)15-7-3-4-8-15/h1-2,5-6H,3-4,7-9H2,(H,14,18)(H,16,17)
InChIKeyZPIVWRHKXAYZQF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.94
Rot. Bonds3

About 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid

2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid (PubChem CID 62536138) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
PubChem CID62536138
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)N1CCCC1
InChIInChI=1S/C13H16N2O3/c16-12(17)9-10-5-1-2-6-11(10)14-13(18)15-7-3-4-8-15/h1-2,5-6H,3-4,7-9H2,(H,14,18)(H,16,17)
InChIKeyZPIVWRHKXAYZQF-UHFFFAOYSA-N
XLogP1.94
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(hydroxymethyl)phenyl]pyrrolidine-1-carboxamide
CID 79161334
1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318533
(3S)-1-[(2-ethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512559
2-[2-[(3-hydroxy-3-methylpyrrolidine-1-carbonyl)amino]phenyl]acetic acid
CID 103357280
3-[2-(1,4-diazepane-1-carbonylamino)phenyl]propanoic acid
CID 107274027
N-[2-[(2-oxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 166204417
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
2-[2-(2-pyrrolidin-1-ylethylcarbamoylamino)phenyl]acetic acid
CID 62636200
N-(2-acetylphenyl)pyrrolidine-1-carboxamide
CID 112724111
N-[2-[[2-(4-aminophenyl)acetyl]amino]phenyl]pyrrolidine-1-carboxamide
CID 119736029
4-(2-hydroxyethyl)-N-[2-(piperidin-1-ylmethyl)phenyl]piperazine-1-carboxamide
CID 72920810
N-[2-(aminomethyl)phenyl]piperazine-1-carboxamide
CID 174500073

Frequently Asked Questions

What is the IUPAC name of 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid (CID 62536138) is 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)N1CCCC1.
What is the InChIKey of 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid?
The InChIKey is ZPIVWRHKXAYZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-12(17)9-10-5-1-2-6-11(10)14-13(18)15-7-3-4-8-15/h1-2,5-6H,3-4,7-9H2,(H,14,18)(H,16,17).
What are the key properties of 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid?
2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid has a molecular weight of 248.28 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(pyrrolidine-1-carbonylamino)phenyl]acetic acid is sourced from PubChem (CID 62536138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).