4-aminohex-5-enoic acid

C6H11NO2 — CID 5665

💊View drug profile → vigabatrin
IUPAC4-aminohex-5-enoic acid
SMILESC=CC(N)CCC(=O)O
InChIInChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChIKeyPJDFLNIOAUIZSL-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.36
Rot. Bonds4

About 4-aminohex-5-enoic acid

4-aminohex-5-enoic acid (PubChem CID 5665) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-aminohex-5-enoic acid.

Molecular Properties

Compound Name4-aminohex-5-enoic acid
PubChem CID5665
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-aminohex-5-enoic acid
SMILESC=CC(N)CCC(=O)O
InChIInChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9)
InChIKeyPJDFLNIOAUIZSL-UHFFFAOYSA-N
XLogP0.36
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(R)-Vigabatrin
CID 157018
4-Azaniumylhex-5-enoate
CID 25202592
(Z)-4-amino-6-fluorohex-5-enoic acid
CID 10464469
(S)-Vigabatrin
CID 10219440
5-Hexenoic acid, 4-amino-5-fluoro-
CID 10080537
4-Amino-6,6-difluoro-5-hexenoic acid
CID 13724108
Vigabatrin Hydrochloride
CID 71666447
2-Amino-5-hexenoic acid
CID 15664956
2-Aminohex-5-enoic acid hydrochloride
CID 75420772
4-Amino-5,6,6-trifluorohex-5-enoic acid
CID 13724113
4-Amino-5,6-heptadienoic acid
CID 146090
5,6-Heptadienoic acid, 4-amino-
CID 10261186

Frequently Asked Questions

What is the IUPAC name of 4-aminohex-5-enoic acid?
The IUPAC name of 4-aminohex-5-enoic acid (CID 5665) is 4-aminohex-5-enoic acid.
What is the SMILES notation for 4-aminohex-5-enoic acid?
The canonical SMILES for 4-aminohex-5-enoic acid is C=CC(N)CCC(=O)O.
What is the InChIKey of 4-aminohex-5-enoic acid?
The InChIKey is PJDFLNIOAUIZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-5(7)3-4-6(8)9/h2,5H,1,3-4,7H2,(H,8,9).
What are the key properties of 4-aminohex-5-enoic acid?
4-aminohex-5-enoic acid has a molecular weight of 129.16 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminohex-5-enoic acid is sourced from PubChem (CID 5665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).