2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid

C15H18N2O4 — CID 119353114

IUPAC2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
SMILESCC(=O)N1CCCC1C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C15H18N2O4/c1-10(18)17-8-4-7-13(17)15(21)16-12-6-3-2-5-11(12)9-14(19)20/h2-3,5-6,13H,4,7-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyKDEILCMRWWUWBT-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.26
Rot. Bonds4

About 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid

2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid (PubChem CID 119353114) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
PubChem CID119353114
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid
SMILESCC(=O)N1CCCC1C(=O)Nc1ccccc1CC(=O)O
InChIInChI=1S/C15H18N2O4/c1-10(18)17-8-4-7-13(17)15(21)16-12-6-3-2-5-11(12)9-14(19)20/h2-3,5-6,13H,4,7-9H2,1H3,(H,16,21)(H,19,20)
InChIKeyKDEILCMRWWUWBT-UHFFFAOYSA-N
XLogP1.26
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-benzoyl-N-(2-ethylphenyl)pyrrolidine-2-carboxamide
CID 51605166
1-acetyl-N-[2-(difluoromethylsulfanyl)phenyl]pyrrolidine-2-carboxamide
CID 78799115
N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 47923867
(2S)-N-(2-hydroxyphenyl)-1-(2-phenylacetyl)pyrrolidine-2-carboxamide
CID 95216209
1-acetyl-N-quinolin-5-ylpyrrolidine-2-carboxamide
CID 78798763
1-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]pyrrolidine-2-carboxamide
CID 78798447
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
2-[2-[2-(2-acetylpyrrolidin-1-yl)-2-oxoethyl]phenyl]acetic acid
CID 22888721
(2S)-2-[[(2S)-1-acetylpyrrolidine-2-carbonyl]amino]-2-phenylacetic acid
CID 124682814
(2S)-1-acetyl-N-[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
CID 71372548
(2S)-1-acetyl-N-[2-(ethylamino)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 99833431
1-butanoyl-N-(2-phenylphenyl)pyrrolidine-2-carboxamide
CID 42702695

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid?
The IUPAC name of 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid (CID 119353114) is 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid is CC(=O)N1CCCC1C(=O)Nc1ccccc1CC(=O)O.
What is the InChIKey of 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid?
The InChIKey is KDEILCMRWWUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)17-8-4-7-13(17)15(21)16-12-6-3-2-5-11(12)9-14(19)20/h2-3,5-6,13H,4,7-9H2,1H3,(H,16,21)(H,19,20).
What are the key properties of 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid?
2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1-acetylpyrrolidine-2-carbonyl)amino]phenyl]acetic acid is sourced from PubChem (CID 119353114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).