1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid

C15H19N3O4 — CID 119909344

IUPAC1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)CCN2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H19N3O4/c16-14(20)10-3-5-11(6-4-10)17-13(19)7-9-18-8-1-2-12(18)15(21)22/h3-6,12H,1-2,7-9H2,(H2,16,20)(H,17,19)(H,21,22)
InChIKeyAMZKCSVHVFWICX-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.66
Rot. Bonds6

About 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid

1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid (PubChem CID 119909344) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
PubChem CID119909344
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
SMILESNC(=O)c1ccc(NC(=O)CCN2CCCC2C(=O)O)cc1
InChIInChI=1S/C15H19N3O4/c16-14(20)10-3-5-11(6-4-10)17-13(19)7-9-18-8-1-2-12(18)15(21)22/h3-6,12H,1-2,7-9H2,(H2,16,20)(H,17,19)(H,21,22)
InChIKeyAMZKCSVHVFWICX-UHFFFAOYSA-N
XLogP0.66
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(4-chloroanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 122099678
1-[2-(4-carbamoylanilino)-2-oxoethyl]piperidine-2-carboxylic acid
CID 122558058
(2S)-1-[3-(4-methoxyanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910408
1-[3-[4-(aminomethyl)anilino]-3-oxopropyl]pyrrolidine-2-carboxamide
CID 43212141
(2S)-1-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]pyrrolidine-2-carboxylic acid
CID 119910626
4-(3-pyrrolidin-1-ylpropanoylamino)benzamide
CID 110688218
1-[2-(4-acetylanilino)-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43442043
N-(4-carbamothioylphenyl)-3-(2-methylpyrrolidin-1-yl)propanamide
CID 60973340
N-phenyl-3-[(2S)-2-(thiomorpholine-4-carbonyl)pyrrolidin-1-yl]propanamide
CID 95143189
4-[3-[(3R)-3-pyrrolidin-1-ylpiperidin-1-yl]propanoylamino]benzamide
CID 95775396
4-[3-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]benzamide
CID 2710787
1-(2-anilino-2-oxoethyl)piperidine-2-carboxylic acid
CID 43441072

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid (CID 119909344) is 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid is NC(=O)c1ccc(NC(=O)CCN2CCCC2C(=O)O)cc1.
What is the InChIKey of 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
The InChIKey is AMZKCSVHVFWICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c16-14(20)10-3-5-11(6-4-10)17-13(19)7-9-18-8-1-2-12(18)15(21)22/h3-6,12H,1-2,7-9H2,(H2,16,20)(H,17,19)(H,21,22).
What are the key properties of 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid?
1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid has a molecular weight of 305.33 g/mol, XLogP of 0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-carbamoylanilino)-3-oxopropyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119909344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).