1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

C15H18N2O4 — CID 43442043

IUPAC1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)CN2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-4-6-12(7-5-11)16-14(19)9-17-8-2-3-13(17)15(20)21/h4-7,13H,2-3,8-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyKMAMKNMIULUTFY-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.38
Rot. Bonds5

About 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid

1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (PubChem CID 43442043) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
PubChem CID43442043
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
SMILESCC(=O)c1ccc(NC(=O)CN2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H18N2O4/c1-10(18)11-4-6-12(7-5-11)16-14(19)9-17-8-2-3-13(17)15(20)21/h4-7,13H,2-3,8-9H2,1H3,(H,16,19)(H,20,21)
InChIKeyKMAMKNMIULUTFY-UHFFFAOYSA-N
XLogP1.38
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 ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
1-[2-(4-methoxyanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441727
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072
N-(4-acetylphenyl)-2-(2-ethylpiperidin-1-yl)acetamide
CID 109006395
1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119909006
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119909344
1-[2-oxo-2-(3-propan-2-ylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 43441925
1-[2-[3-(dimethylcarbamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908871
N-(4-acetylphenyl)-2-(3-methylpiperidin-1-yl)acetamide
CID 6914795
1-[2-(2,6-diethylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908992
2-(2-acetylpiperidin-1-yl)-N-(4-bromophenyl)acetamide
CID 63844823
(2S)-1-[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119910886

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid (CID 43442043) is 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is CC(=O)c1ccc(NC(=O)CN2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is KMAMKNMIULUTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-10(18)11-4-6-12(7-5-11)16-14(19)9-17-8-2-3-13(17)15(20)21/h4-7,13H,2-3,8-9H2,1H3,(H,16,19)(H,20,21).
What are the key properties of 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid?
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43442043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).