2-amino-3-methylidenepentanoic acid;hydrochloride

C6H12ClNO2 — CID 12755840

IUPAC2-amino-3-methylidenepentanoic acid;hydrochloride
SMILESC=C(CC)C(N)C(=O)O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-3-4(2)5(7)6(8)9;/h5H,2-3,7H2,1H3,(H,8,9);1H
InChIKeyPEROLDKRDOXHQB-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-3-methylidenepentanoic acid;hydrochloride

2-amino-3-methylidenepentanoic acid;hydrochloride (PubChem CID 12755840) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is 2-amino-3-methylidenepentanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-methylidenepentanoic acid;hydrochloride
PubChem CID12755840
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Name2-amino-3-methylidenepentanoic acid;hydrochloride
SMILESC=C(CC)C(N)C(=O)O.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-3-4(2)5(7)6(8)9;/h5H,2-3,7H2,1H3,(H,8,9);1H
InChIKeyPEROLDKRDOXHQB-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylidenepentanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-methylidenepentanoic acid;hydrochloride (CID 12755840) is 2-amino-3-methylidenepentanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-methylidenepentanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-methylidenepentanoic acid;hydrochloride is C=C(CC)C(N)C(=O)O.Cl.
What is the InChIKey of 2-amino-3-methylidenepentanoic acid;hydrochloride?
The InChIKey is PEROLDKRDOXHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-3-4(2)5(7)6(8)9;/h5H,2-3,7H2,1H3,(H,8,9);1H.
What are the key properties of 2-amino-3-methylidenepentanoic acid;hydrochloride?
2-amino-3-methylidenepentanoic 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 2-amino-3-methylidenepentanoic acid;hydrochloride is sourced from PubChem (CID 12755840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).