3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride

C7H14ClNO2 — CID 137318667

IUPAC3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride
SMILESC=CCN(C)CCC(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-5-8(2)6-4-7(9)10;/h3H,1,4-6H2,2H3,(H,9,10);1H
InChIKeyHKZSQQWSDQKWHN-UHFFFAOYSA-N
MW179.65 g/mol
LogP1.00
Rot. Bonds5

About 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride

3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride (PubChem CID 137318667) has the molecular formula C7H14ClNO2 and a molecular weight of 179.65 g/mol. Its IUPAC name is 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride
PubChem CID137318667
Molecular FormulaC7H14ClNO2
Molecular Weight179.65 g/mol
Exact Mass179.07
IUPAC Name3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride
SMILESC=CCN(C)CCC(=O)O.Cl
InChIInChI=1S/C7H13NO2.ClH/c1-3-5-8(2)6-4-7(9)10;/h3H,1,4-6H2,2H3,(H,9,10);1H
InChIKeyHKZSQQWSDQKWHN-UHFFFAOYSA-N
XLogP1.00
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.65
LogP ≤ 51.00
H-Bond Donors ≤ 51
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 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride?
The IUPAC name of 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride (CID 137318667) is 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride is C=CCN(C)CCC(=O)O.Cl.
What is the InChIKey of 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride?
The InChIKey is HKZSQQWSDQKWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2.ClH/c1-3-5-8(2)6-4-7(9)10;/h3H,1,4-6H2,2H3,(H,9,10);1H.
What are the key properties of 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride?
3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride has a molecular weight of 179.65 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(prop-2-enyl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 137318667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).