1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid

C16H20N2O4 — CID 119355514

IUPAC1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCCCNC(=O)c1cccc(C(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C16H20N2O4/c1-2-8-17-14(19)11-5-3-6-12(10-11)15(20)18-9-4-7-13(18)16(21)22/h3,5-6,10,13H,2,4,7-9H2,1H3,(H,17,19)(H,21,22)
InChIKeyMRFNAPZOVGOANM-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.52
Rot. Bonds5

About 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid

1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid (PubChem CID 119355514) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
PubChem CID119355514
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
SMILESCCCNC(=O)c1cccc(C(=O)N2CCCC2C(=O)O)c1
InChIInChI=1S/C16H20N2O4/c1-2-8-17-14(19)11-5-3-6-12(10-11)15(20)18-9-4-7-13(18)16(21)22/h3,5-6,10,13H,2,4,7-9H2,1H3,(H,17,19)(H,21,22)
InChIKeyMRFNAPZOVGOANM-UHFFFAOYSA-N
XLogP1.52
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(methylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid
CID 119355631
(2S)-1-[3-[(2S)-2-carboxypyrrolidine-1-carbonyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 11142918
3-(2-ethylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050358
1-[3-[[4-oxo-4-(propylamino)butanoyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 119243534
(2R)-1-(3-carbamoylbenzoyl)pyrrolidine-2-carboxylic acid
CID 78922123
3-(3-aminopiperidine-1-carbonyl)-N-propylbenzamide
CID 119377560
3-(4-methylpiperidine-1-carbonyl)-N-propylbenzamide
CID 109050285
(2S)-1-[3-(dimethylcarbamoyl)benzoyl]piperidine-2-carboxylic acid
CID 99713728
(2R)-1-[3-[methyl(phenyl)carbamoyl]benzoyl]pyrrolidine-2-carboxylic acid
CID 119370650
2-[1-[3-(propylcarbamoyl)benzoyl]piperidin-4-yl]acetic acid
CID 119177928
1-[3-(dimethylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 43329171
3-(4-acetylpiperazine-1-carbonyl)-N-propylbenzamide
CID 109050297

Frequently Asked Questions

What is the IUPAC name of 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid (CID 119355514) is 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid is CCCNC(=O)c1cccc(C(=O)N2CCCC2C(=O)O)c1.
What is the InChIKey of 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MRFNAPZOVGOANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-2-8-17-14(19)11-5-3-6-12(10-11)15(20)18-9-4-7-13(18)16(21)22/h3,5-6,10,13H,2,4,7-9H2,1H3,(H,17,19)(H,21,22).
What are the key properties of 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid?
1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(propylcarbamoyl)benzoyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119355514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).