2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid

C11H22N2O3 — CID 107145294

IUPAC2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid
SMILESCCCC[C@H](N)C(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-7-8(12)10(14)13(3)9(5-2)11(15)16/h8-9H,4-7,12H2,1-3H3,(H,15,16)/t8-,9?/m0/s1
InChIKeyCOBVDIVEKUJGRM-IENPIDJESA-N
MW230.31 g/mol
LogP0.83
Rot. Bonds7

About 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid

2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid (PubChem CID 107145294) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid
PubChem CID107145294
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid
SMILESCCCC[C@H](N)C(=O)N(C)C(CC)C(=O)O
InChIInChI=1S/C11H22N2O3/c1-4-6-7-8(12)10(14)13(3)9(5-2)11(15)16/h8-9H,4-7,12H2,1-3H3,(H,15,16)/t8-,9?/m0/s1
InChIKeyCOBVDIVEKUJGRM-IENPIDJESA-N
XLogP0.83
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

Analyze 2-[[(2S)-2-aminohexanoyl]-methylamino]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

(2R)-2-amino-N,N-dimethylhexanamide
CID 87696829
2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
2-[hexan-2-ylcarbamoyl(methyl)amino]butanoic acid
CID 62199162
(2S)-2-aminohexanoic acid;dihydrochloride
CID 142770522
(2S)-2-amino-N-butyl-N-methylhexanamide
CID 103830866
2-amino-N-(1-cyanopropan-2-yl)-N-methylhexanamide
CID 63225035
(2S)-2-aminohexanoic acid;(2R)-2-aminopentanoic acid
CID 158530553
2-amino-N-methyl-N-(2-methylbutyl)hexanamide
CID 60854026
(2S)-2-[2-ethylhexanoyl(methyl)amino]pent-4-enoic acid
CID 59423801
(2S)-2-amino-N-methyl-N-(1-pyridin-4-ylethyl)hexanamide
CID 113357165
6-amino-2-(dihydroxyamino)hexanoic acid;2-aminohexanoic acid
CID 135340868
(2S)-2-[[(2S)-2-amino-3-cyclopropylpropanoyl]-methylamino]-3-cyclopropylpropanoic acid
CID 171550082

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid?
The IUPAC name of 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid (CID 107145294) is 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid.
What is the SMILES notation for 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid?
The canonical SMILES for 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid is CCCC[C@H](N)C(=O)N(C)C(CC)C(=O)O.
What is the InChIKey of 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid?
The InChIKey is COBVDIVEKUJGRM-IENPIDJESA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-6-7-8(12)10(14)13(3)9(5-2)11(15)16/h8-9H,4-7,12H2,1-3H3,(H,15,16)/t8-,9?/m0/s1.
What are the key properties of 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid?
2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid has a molecular weight of 230.31 g/mol, XLogP of 0.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-aminohexanoyl]-methylamino]butanoic acid is sourced from PubChem (CID 107145294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).