4-aminohex-5-enoic acid;hydrochloride

C6H12ClNO2 — CID 71666447

IUPAC4-aminohex-5-enoic acid;hydrochloride
SMILESC=CC(N)CCC(=O)O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-2-5(7)3-4-6(8)9;/h2,5H,1,3-4,7H2,(H,8,9);1H
InChIKeyFBNKOYLPAMUOHS-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.79
Rot. Bonds4

About 4-aminohex-5-enoic acid;hydrochloride

4-aminohex-5-enoic acid;hydrochloride (PubChem CID 71666447) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 4-aminohex-5-enoic acid;hydrochloride.

Molecular Properties

Compound Name4-aminohex-5-enoic acid;hydrochloride
PubChem CID71666447
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name4-aminohex-5-enoic acid;hydrochloride
SMILESC=CC(N)CCC(=O)O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-2-5(7)3-4-6(8)9;/h2,5H,1,3-4,7H2,(H,8,9);1H
InChIKeyFBNKOYLPAMUOHS-UHFFFAOYSA-N
XLogP0.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.79
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

Vigabatrin
CID 5665
(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
2-Amino-5-hexenoic acid
CID 15664956
4-Aminocyclopent-2-ene-1-carboxylic acid hydrochloride
CID 10171261
(1R,4S)-4-aminocyclopent-2-ene-1-carboxylic acid hydrochloride
CID 12645055
(1S,4R)-4-aminocyclopent-2-enecarboxylic acid hydrochloride
CID 44828817
2-Aminohex-5-enoic acid hydrochloride
CID 75420772

Frequently Asked Questions

What is the IUPAC name of 4-aminohex-5-enoic acid;hydrochloride?
The IUPAC name of 4-aminohex-5-enoic acid;hydrochloride (CID 71666447) is 4-aminohex-5-enoic acid;hydrochloride.
What is the SMILES notation for 4-aminohex-5-enoic acid;hydrochloride?
The canonical SMILES for 4-aminohex-5-enoic acid;hydrochloride is C=CC(N)CCC(=O)O.Cl.
What is the InChIKey of 4-aminohex-5-enoic acid;hydrochloride?
The InChIKey is FBNKOYLPAMUOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-2-5(7)3-4-6(8)9;/h2,5H,1,3-4,7H2,(H,8,9);1H.
What are the key properties of 4-aminohex-5-enoic acid;hydrochloride?
4-aminohex-5-enoic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.79, 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;hydrochloride is sourced from PubChem (CID 71666447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).