(2S)-2-aminohexanoic acid

C6H13NO2 — CID 21236

IUPAC(2S)-2-aminohexanoic acid
SMILESCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyLRQKBLKVPFOOQJ-YFKPBYRVSA-N
MW131.17 g/mol
LogP0.59
Rot. Bonds4

About (2S)-2-aminohexanoic acid

(2S)-2-aminohexanoic acid (PubChem CID 21236) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (2S)-2-aminohexanoic acid.

Molecular Properties

Compound Name(2S)-2-aminohexanoic acid
PubChem CID21236
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(2S)-2-aminohexanoic acid
SMILESCCCC[C@H](N)C(=O)O
InChIInChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyLRQKBLKVPFOOQJ-YFKPBYRVSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-aminohexanoic 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

L-Lysine
CID 5962
L-(-)-Ornithine
CID 6262
6-Aminohexanoic Acid
CID 564
L-2-Aminoadipic Acid
CID 92136
Alpha-Aminoadipic Acid
CID 469
Lysine, DL-
CID 866
L-Norvaline
CID 65098
2-Aminooctanoic acid
CID 69522
D-Ornithine
CID 71082
L-Lysine monohydrochloride
CID 69568
Trimethyllysine
CID 440121
D-Lysine
CID 57449

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminohexanoic acid?
The IUPAC name of (2S)-2-aminohexanoic acid (CID 21236) is (2S)-2-aminohexanoic acid.
What is the SMILES notation for (2S)-2-aminohexanoic acid?
The canonical SMILES for (2S)-2-aminohexanoic acid is CCCC[C@H](N)C(=O)O.
What is the InChIKey of (2S)-2-aminohexanoic acid?
The InChIKey is LRQKBLKVPFOOQJ-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (2S)-2-aminohexanoic acid?
(2S)-2-aminohexanoic acid has a molecular weight of 131.17 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminohexanoic acid is sourced from PubChem (CID 21236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).