6-aminohexanoic acid

C6H13NO2 — CID 564

IUPAC6-aminohexanoic acid
SMILESNCCCCCC(=O)O
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKeySLXKOJJOQWFEFD-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.59
Rot. Bonds5

About 6-aminohexanoic acid

6-aminohexanoic acid (PubChem CID 564) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 6-aminohexanoic acid.

Molecular Properties

Compound Name6-aminohexanoic acid
PubChem CID564
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name6-aminohexanoic acid
SMILESNCCCCCC(=O)O
InChIInChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
InChIKeySLXKOJJOQWFEFD-UHFFFAOYSA-N
XLogP0.59
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

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Related Compounds

L-Lysine
CID 5962
5-Aminovaleric acid
CID 138
Caprine
CID 21236
D-Lysine
CID 57449
11-Aminoundecanoic acid
CID 17083
Lysine, DL-
CID 866
L-Lysine monohydrochloride
CID 69568
12-Aminododecanoic Acid
CID 69661
7-Aminoheptanoic acid
CID 13580
Hexamethylenediamine adipate
CID 197024
Lysine hydrochloride, DL-
CID 12047
8-Aminooctanoic acid
CID 66085

Frequently Asked Questions

What is the IUPAC name of 6-aminohexanoic acid?
The IUPAC name of 6-aminohexanoic acid (CID 564) is 6-aminohexanoic acid.
What is the SMILES notation for 6-aminohexanoic acid?
The canonical SMILES for 6-aminohexanoic acid is NCCCCCC(=O)O.
What is the InChIKey of 6-aminohexanoic acid?
The InChIKey is SLXKOJJOQWFEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9).
What are the key properties of 6-aminohexanoic acid?
6-aminohexanoic acid has a molecular weight of 131.18 g/mol, XLogP of 0.59, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-aminohexanoic acid is sourced from PubChem (CID 564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).