4-[6-aminohexanoyl(methyl)amino]butanoic acid

C11H22N2O3 — CID 61160590

IUPAC4-[6-aminohexanoyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CCCCCN
InChIInChI=1S/C11H22N2O3/c1-13(9-5-7-11(15)16)10(14)6-3-2-4-8-12/h2-9,12H2,1H3,(H,15,16)
InChIKeyIPIHGURWWOUSEI-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds9

About 4-[6-aminohexanoyl(methyl)amino]butanoic acid

4-[6-aminohexanoyl(methyl)amino]butanoic acid (PubChem CID 61160590) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[6-aminohexanoyl(methyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[6-aminohexanoyl(methyl)amino]butanoic acid
PubChem CID61160590
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name4-[6-aminohexanoyl(methyl)amino]butanoic acid
SMILESCN(CCCC(=O)O)C(=O)CCCCCN
InChIInChI=1S/C11H22N2O3/c1-13(9-5-7-11(15)16)10(14)6-3-2-4-8-12/h2-9,12H2,1H3,(H,15,16)
InChIKeyIPIHGURWWOUSEI-UHFFFAOYSA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-[6-aminohexanoyl(methyl)amino]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

4-[heptanoyl(methyl)amino]butanoic acid
CID 43172442
7-amino-N-(5-hydroxypentyl)-N-methylheptanamide
CID 107199281
N-(3-aminopropyl)-N-methylheptanamide
CID 115737512
N-(3-aminopropyl)-N-methyldecanamide
CID 65447774
N-(3-aminopropyl)-N-methyloctanamide
CID 43125160
10-[methyl(pentyl)amino]-10-oxodecanoic acid
CID 143390074
6-[butyl(methyl)amino]-6-oxohexanoic acid
CID 43447178
4-[methyl(undec-10-enoyl)amino]butanoic acid
CID 10016696
11-aminoundecanoic acid;ethane
CID 144914161
heptanedioic acid;hexane-1,6-diamine
CID 174639050
nonanedioic acid;tridecane-1,13-diamine
CID 21330241
6-[2-(dimethylamino)ethyl-methylamino]-6-oxohexanoic acid
CID 63694639

Frequently Asked Questions

What is the IUPAC name of 4-[6-aminohexanoyl(methyl)amino]butanoic acid?
The IUPAC name of 4-[6-aminohexanoyl(methyl)amino]butanoic acid (CID 61160590) is 4-[6-aminohexanoyl(methyl)amino]butanoic acid.
What is the SMILES notation for 4-[6-aminohexanoyl(methyl)amino]butanoic acid?
The canonical SMILES for 4-[6-aminohexanoyl(methyl)amino]butanoic acid is CN(CCCC(=O)O)C(=O)CCCCCN.
What is the InChIKey of 4-[6-aminohexanoyl(methyl)amino]butanoic acid?
The InChIKey is IPIHGURWWOUSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-13(9-5-7-11(15)16)10(14)6-3-2-4-8-12/h2-9,12H2,1H3,(H,15,16).
What are the key properties of 4-[6-aminohexanoyl(methyl)amino]butanoic acid?
4-[6-aminohexanoyl(methyl)amino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-aminohexanoyl(methyl)amino]butanoic acid is sourced from PubChem (CID 61160590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).