3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid

C15H20N2O4 — CID 119220692

IUPAC3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
SMILESCCCNC(=O)c1cccc(C(=O)NC(C)CC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-3-7-16-14(20)11-5-4-6-12(9-11)15(21)17-10(2)8-13(18)19/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyOBXPETLPXDMRCH-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.42
Rot. Bonds7

About 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid

3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid (PubChem CID 119220692) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
PubChem CID119220692
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
SMILESCCCNC(=O)c1cccc(C(=O)NC(C)CC(=O)O)c1
InChIInChI=1S/C15H20N2O4/c1-3-7-16-14(20)11-5-4-6-12(9-11)15(21)17-10(2)8-13(18)19/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyOBXPETLPXDMRCH-UHFFFAOYSA-N
XLogP1.42
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid
CID 119169850
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
3-N-(1-amino-4-methylpentan-2-yl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119585729
1-N-methyl-3-N-propylbenzene-1,3-dicarboxamide
CID 69320035
3-[(3-ethoxybenzoyl)amino]butanoic acid
CID 119221439
3-N-(2-aminoethyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 119382339
3-[(3-methoxybenzoyl)amino]butanoic acid
CID 43092439
3-N-(3-aminobutyl)-1-N-propylbenzene-1,3-dicarboxamide;hydrochloride
CID 119495246
3-N-(3-hydroxy-4-methylpentyl)-1-N-propylbenzene-1,3-dicarboxamide
CID 111461509
3-N-benzyl-1-N-propylbenzene-1,3-dicarboxamide
CID 109050299
3-[(3,4-dimethylbenzoyl)amino]butanoic acid
CID 18370046
1-N-butyl-3-N-(1-phenylethyl)benzene-1,3-dicarboxamide
CID 109051078

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid?
The IUPAC name of 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid (CID 119220692) is 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid.
What is the SMILES notation for 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid?
The canonical SMILES for 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid is CCCNC(=O)c1cccc(C(=O)NC(C)CC(=O)O)c1.
What is the InChIKey of 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid?
The InChIKey is OBXPETLPXDMRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-3-7-16-14(20)11-5-4-6-12(9-11)15(21)17-10(2)8-13(18)19/h4-6,9-10H,3,7-8H2,1-2H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid?
3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid has a molecular weight of 292.33 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(propylcarbamoyl)benzoyl]amino]butanoic acid is sourced from PubChem (CID 119220692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).