methyl 2-aminopent-4-enoate;hydrochloride

C6H12ClNO2 — CID 11332668

IUPACmethyl 2-aminopent-4-enoate;hydrochloride
SMILESC=CCC(N)C(=O)OC.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-3-4-5(7)6(8)9-2;/h3,5H,1,4,7H2,2H3;1H
InChIKeyWHHNAMFLUXPVNV-UHFFFAOYSA-N
MW165.62 g/mol
LogP0.48
Rot. Bonds3

About methyl 2-aminopent-4-enoate;hydrochloride

methyl 2-aminopent-4-enoate;hydrochloride (PubChem CID 11332668) has the molecular formula C6H12ClNO2 and a molecular weight of 165.62 g/mol. Its IUPAC name is methyl 2-aminopent-4-enoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-aminopent-4-enoate;hydrochloride
PubChem CID11332668
Molecular FormulaC6H12ClNO2
Molecular Weight165.62 g/mol
Exact Mass165.06
IUPAC Namemethyl 2-aminopent-4-enoate;hydrochloride
SMILESC=CCC(N)C(=O)OC.Cl
InChIInChI=1S/C6H11NO2.ClH/c1-3-4-5(7)6(8)9-2;/h3,5H,1,4,7H2,2H3;1H
InChIKeyWHHNAMFLUXPVNV-UHFFFAOYSA-N
XLogP0.48
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.62
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl 2-aminopent-4-enoate;hydrochloride?
The IUPAC name of methyl 2-aminopent-4-enoate;hydrochloride (CID 11332668) is methyl 2-aminopent-4-enoate;hydrochloride.
What is the SMILES notation for methyl 2-aminopent-4-enoate;hydrochloride?
The canonical SMILES for methyl 2-aminopent-4-enoate;hydrochloride is C=CCC(N)C(=O)OC.Cl.
What is the InChIKey of methyl 2-aminopent-4-enoate;hydrochloride?
The InChIKey is WHHNAMFLUXPVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2.ClH/c1-3-4-5(7)6(8)9-2;/h3,5H,1,4,7H2,2H3;1H.
What are the key properties of methyl 2-aminopent-4-enoate;hydrochloride?
methyl 2-aminopent-4-enoate;hydrochloride has a molecular weight of 165.62 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminopent-4-enoate;hydrochloride is sourced from PubChem (CID 11332668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).