1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

C15H18N2O4 — CID 63031856

IUPAC1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C15H18N2O4/c1-10(18)12-4-2-3-5-13(12)16-14(19)9-17-7-6-11(8-17)15(20)21/h2-5,11H,6-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyIGXNFNRWEFUZQR-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.23
Rot. Bonds5

About 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid

1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (PubChem CID 63031856) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
PubChem CID63031856
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
SMILESCC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)O)C1
InChIInChI=1S/C15H18N2O4/c1-10(18)12-4-2-3-5-13(12)16-14(19)9-17-7-6-11(8-17)15(20)21/h2-5,11H,6-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyIGXNFNRWEFUZQR-UHFFFAOYSA-N
XLogP1.23
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-acetylanilino)-2-oxoethyl]piperidine-4-carboxylic acid;hydrochloride
CID 119906608
N-(2-acetylphenyl)-2-(3,4-dihydroxypyrrolidin-1-yl)acetamide
CID 106672145
N-(2-acetylphenyl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 8902773
methyl 1-[2-(2-chloroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 47287034
N-(2-acetylphenyl)-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456108
1-[2-[(2-methylphenyl)methylamino]-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 119904532
1-[2-(3-ethylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63032214
1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid
CID 63030998
(2S)-1-[2-(2-acetylanilino)-2-oxoethyl]-N-phenylpyrrolidine-2-carboxamide
CID 51725831
2-[[2-(4-hydroxypiperidin-1-yl)acetyl]amino]-N-phenylbenzamide
CID 31480918
2-[[2-(3-methylpiperidin-1-yl)acetyl]amino]benzamide
CID 22197772
N-(2-acetylphenyl)-2-[(1-ethylpiperidin-4-yl)-methylamino]acetamide
CID 86920663

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid (CID 63031856) is 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is CC(=O)c1ccccc1NC(=O)CN1CCC(C(=O)O)C1.
What is the InChIKey of 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
The InChIKey is IGXNFNRWEFUZQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)12-4-2-3-5-13(12)16-14(19)9-17-7-6-11(8-17)15(20)21/h2-5,11H,6-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid?
1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-acetylanilino)-2-oxoethyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63031856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).