(4S)-4-aminohexanoic acid

C6H13NO2 — CID 46936928

IUPAC(4S)-4-aminohexanoic acid
SMILESCC[C@H](N)CCC(=O)O
InChIInChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyROFNJLCLYMMXCT-YFKPBYRVSA-N
MW131.18 g/mol
LogP0.59
Rot. Bonds4

About (4S)-4-aminohexanoic acid

(4S)-4-aminohexanoic acid (PubChem CID 46936928) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is (4S)-4-aminohexanoic acid.

Molecular Properties

Compound Name(4S)-4-aminohexanoic acid
PubChem CID46936928
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name(4S)-4-aminohexanoic acid
SMILESCC[C@H](N)CCC(=O)O
InChIInChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeyROFNJLCLYMMXCT-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 ≤ 500131.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-aminohexanoic acid?
The IUPAC name of (4S)-4-aminohexanoic acid (CID 46936928) is (4S)-4-aminohexanoic acid.
What is the SMILES notation for (4S)-4-aminohexanoic acid?
The canonical SMILES for (4S)-4-aminohexanoic acid is CC[C@H](N)CCC(=O)O.
What is the InChIKey of (4S)-4-aminohexanoic acid?
The InChIKey is ROFNJLCLYMMXCT-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-5(7)3-4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (4S)-4-aminohexanoic acid?
(4S)-4-aminohexanoic acid has a molecular weight of 131.18 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 (4S)-4-aminohexanoic acid is sourced from PubChem (CID 46936928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).