3-[[2-(propylamino)benzoyl]amino]propanoic acid

C13H18N2O3 — CID 63107977

IUPAC3-[[2-(propylamino)benzoyl]amino]propanoic acid
SMILESCCCNc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/C13H18N2O3/c1-2-8-14-11-6-4-3-5-10(11)13(18)15-9-7-12(16)17/h3-6,14H,2,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyIDTPHVFUWFRXHQ-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.71
Rot. Bonds7

About 3-[[2-(propylamino)benzoyl]amino]propanoic acid

3-[[2-(propylamino)benzoyl]amino]propanoic acid (PubChem CID 63107977) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[[2-(propylamino)benzoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-(propylamino)benzoyl]amino]propanoic acid
PubChem CID63107977
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name3-[[2-(propylamino)benzoyl]amino]propanoic acid
SMILESCCCNc1ccccc1C(=O)NCCC(=O)O
InChIInChI=1S/C13H18N2O3/c1-2-8-14-11-6-4-3-5-10(11)13(18)15-9-7-12(16)17/h3-6,14H,2,7-9H2,1H3,(H,15,18)(H,16,17)
InChIKeyIDTPHVFUWFRXHQ-UHFFFAOYSA-N
XLogP1.71
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-oxo-3-(propylamino)propyl]-2-(propylamino)benzamide
CID 62178281
N-(3-hydroxypropyl)-2-(propylamino)benzamide
CID 55178627
2-(2-bromoethylamino)-N-propylbenzamide
CID 11066007
3-[[2-(2,2-dimethylpropanoylamino)benzoyl]amino]propanoic acid
CID 1494019
N-(2-chloroprop-2-enyl)-2-(propylamino)benzamide
CID 113464736
N-[3-(diethylamino)propyl]-2-(propylamino)benzamide
CID 62165335
3-[(2-propylsulfonylbenzoyl)amino]propanoic acid
CID 119177464
N-[(2-methylphenyl)methyl]-2-(propylamino)benzamide
CID 62179332
N-(2-fluorophenyl)-2-(propylamino)benzamide
CID 62166035
2-hydrazinyl-N-propylbenzamide
CID 62238054
N-(2-piperidin-1-ylethyl)-2-(propylamino)benzamide
CID 62175413
4-[2-(butylcarbamoyl)anilino]-4-oxobutanoic acid
CID 17149330

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(propylamino)benzoyl]amino]propanoic acid?
The IUPAC name of 3-[[2-(propylamino)benzoyl]amino]propanoic acid (CID 63107977) is 3-[[2-(propylamino)benzoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-(propylamino)benzoyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-(propylamino)benzoyl]amino]propanoic acid is CCCNc1ccccc1C(=O)NCCC(=O)O.
What is the InChIKey of 3-[[2-(propylamino)benzoyl]amino]propanoic acid?
The InChIKey is IDTPHVFUWFRXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-2-8-14-11-6-4-3-5-10(11)13(18)15-9-7-12(16)17/h3-6,14H,2,7-9H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 3-[[2-(propylamino)benzoyl]amino]propanoic acid?
3-[[2-(propylamino)benzoyl]amino]propanoic acid has a molecular weight of 250.30 g/mol, XLogP of 1.71, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(propylamino)benzoyl]amino]propanoic acid is sourced from PubChem (CID 63107977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).