4-[acetyl(benzyl)amino]butanoic acid

C13H17NO3 — CID 92930357

IUPAC4-[acetyl(benzyl)amino]butanoic acid
SMILESCC(=O)N(CCCC(=O)O)Cc1ccccc1
InChIInChI=1S/C13H17NO3/c1-11(15)14(9-5-8-13(16)17)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,16,17)
InChIKeyLJWDRZOVVYFGKI-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.90
Rot. Bonds6

About 4-[acetyl(benzyl)amino]butanoic acid

4-[acetyl(benzyl)amino]butanoic acid (PubChem CID 92930357) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 4-[acetyl(benzyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[acetyl(benzyl)amino]butanoic acid
PubChem CID92930357
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name4-[acetyl(benzyl)amino]butanoic acid
SMILESCC(=O)N(CCCC(=O)O)Cc1ccccc1
InChIInChI=1S/C13H17NO3/c1-11(15)14(9-5-8-13(16)17)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,16,17)
InChIKeyLJWDRZOVVYFGKI-UHFFFAOYSA-N
XLogP1.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[acetyl(benzyl)amino]ethyl]-N-benzylacetamide
CID 562449
3-[3-[acetyl(benzyl)amino]propanoyl-methylamino]propanoic acid
CID 119232553
4-[acetyl-[(2-chlorophenyl)methyl]amino]butanoic acid
CID 39369198
4-[benzyl(2-ethylbutanoyl)amino]butanoic acid
CID 120606664
N-benzyl-N-(5-oxopentyl)acetamide
CID 11586698
3-[acetyl(benzyl)amino]-N-benzyl-N-methylpropanamide
CID 113118209
3-[acetyl(benzyl)amino]-N,N-diethylpropanamide
CID 113118249
6-[benzyl(propyl)amino]-6-oxohexanoic acid
CID 43579947
5-[benzyl(methyl)amino]pentanoic acid
CID 28972352
ethyl 3-[acetyl(benzyl)amino]propanoate
CID 14922098
5-[benzyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pentanoic acid
CID 22006392
6-[benzyl(2-hydroxyethyl)amino]-6-oxohexanoic acid
CID 60948107

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(benzyl)amino]butanoic acid?
The IUPAC name of 4-[acetyl(benzyl)amino]butanoic acid (CID 92930357) is 4-[acetyl(benzyl)amino]butanoic acid.
What is the SMILES notation for 4-[acetyl(benzyl)amino]butanoic acid?
The canonical SMILES for 4-[acetyl(benzyl)amino]butanoic acid is CC(=O)N(CCCC(=O)O)Cc1ccccc1.
What is the InChIKey of 4-[acetyl(benzyl)amino]butanoic acid?
The InChIKey is LJWDRZOVVYFGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-11(15)14(9-5-8-13(16)17)10-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,16,17).
What are the key properties of 4-[acetyl(benzyl)amino]butanoic acid?
4-[acetyl(benzyl)amino]butanoic acid has a molecular weight of 235.28 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(benzyl)amino]butanoic acid is sourced from PubChem (CID 92930357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).