3-[4-(2-aminohexanoylamino)phenyl]butanoic acid

C16H24N2O3 — CID 104503078

IUPAC3-[4-(2-aminohexanoylamino)phenyl]butanoic acid
SMILESCCCCC(N)C(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-3-4-5-14(17)16(21)18-13-8-6-12(7-9-13)11(2)10-15(19)20/h6-9,11,14H,3-5,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGYQHRYPJEAHGBM-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.72
Rot. Bonds8

About 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid

3-[4-(2-aminohexanoylamino)phenyl]butanoic acid (PubChem CID 104503078) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid.

Molecular Properties

Compound Name3-[4-(2-aminohexanoylamino)phenyl]butanoic acid
PubChem CID104503078
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[4-(2-aminohexanoylamino)phenyl]butanoic acid
SMILESCCCCC(N)C(=O)Nc1ccc(C(C)CC(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-3-4-5-14(17)16(21)18-13-8-6-12(7-9-13)11(2)10-15(19)20/h6-9,11,14H,3-5,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyGYQHRYPJEAHGBM-UHFFFAOYSA-N
XLogP2.72
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]butanoic acid
CID 104903971
3-[4-(pentanoylamino)phenyl]butanoic acid
CID 113419992
3-[4-[(2-amino-3-methylpentanoyl)amino]phenyl]butanoic acid
CID 104503054
3-[4-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]phenyl]butanoic acid
CID 104502997
2-amino-N-(4-bromophenyl)hexanamide
CID 60852203
3-[4-(2-ethylbutanoylamino)phenyl]butanoic acid
CID 104501817
3-[4-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]butanoic acid
CID 104503052
methyl N-[4-[[(2S)-2-aminohexanoyl]amino]phenyl]carbamate
CID 103831481
3-[4-(2-acetamidopropanoylamino)phenyl]butanoic acid
CID 104501839
ethyl 4-[[(2S)-2-aminohexanoyl]amino]benzoate
CID 103830868
3-[4-(2-phenylmethoxypropanoylamino)phenyl]butanoic acid
CID 113419980
(2R)-2-amino-N-(4-butan-2-ylphenyl)-4-methylsulfanylbutanamide
CID 104907160

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid?
The IUPAC name of 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid (CID 104503078) is 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid.
What is the SMILES notation for 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid?
The canonical SMILES for 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid is CCCCC(N)C(=O)Nc1ccc(C(C)CC(=O)O)cc1.
What is the InChIKey of 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid?
The InChIKey is GYQHRYPJEAHGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-4-5-14(17)16(21)18-13-8-6-12(7-9-13)11(2)10-15(19)20/h6-9,11,14H,3-5,10,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid?
3-[4-(2-aminohexanoylamino)phenyl]butanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.72, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminohexanoylamino)phenyl]butanoic acid is sourced from PubChem (CID 104503078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).