5-amino-2-methylpent-2-enoic acid;hydrochloride

C6H12ClNO2 — CID 133053704

IUPAC5-amino-2-methylpent-2-enoic acid;hydrochloride
SMILESCC(=CCCN)C(=O)O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-5(6(8)9)3-2-4-7;/h3H,2,4,7H2,1H3,(H,8,9);1H
InChIKeyWPSZMNUXXJSWIE-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.79
Rot. Bonds3

About 5-amino-2-methylpent-2-enoic acid;hydrochloride

5-amino-2-methylpent-2-enoic acid;hydrochloride (PubChem CID 133053704) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 5-amino-2-methylpent-2-enoic acid;hydrochloride.

Molecular Properties

Compound Name5-amino-2-methylpent-2-enoic acid;hydrochloride
PubChem CID133053704
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name5-amino-2-methylpent-2-enoic acid;hydrochloride
SMILESCC(=CCCN)C(=O)O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-5(6(8)9)3-2-4-7;/h3H,2,4,7H2,1H3,(H,8,9);1H
InChIKeyWPSZMNUXXJSWIE-UHFFFAOYSA-N
XLogP0.79
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylpent-2-enoic acid;hydrochloride?
The IUPAC name of 5-amino-2-methylpent-2-enoic acid;hydrochloride (CID 133053704) is 5-amino-2-methylpent-2-enoic acid;hydrochloride.
What is the SMILES notation for 5-amino-2-methylpent-2-enoic acid;hydrochloride?
The canonical SMILES for 5-amino-2-methylpent-2-enoic acid;hydrochloride is CC(=CCCN)C(=O)O.Cl.
What is the InChIKey of 5-amino-2-methylpent-2-enoic acid;hydrochloride?
The InChIKey is WPSZMNUXXJSWIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-5(6(8)9)3-2-4-7;/h3H,2,4,7H2,1H3,(H,8,9);1H.
What are the key properties of 5-amino-2-methylpent-2-enoic acid;hydrochloride?
5-amino-2-methylpent-2-enoic acid;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylpent-2-enoic acid;hydrochloride is sourced from PubChem (CID 133053704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).