3-[methyl(propyl)amino]propanoic acid;hydrochloride

C7H16ClNO2 — CID 50988219

IUPAC3-[methyl(propyl)amino]propanoic acid;hydrochloride
SMILESCCCN(C)CCC(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-5-8(2)6-4-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChIKeyWLIFTHKRBQABSU-UHFFFAOYSA-N
MW181.66 g/mol
LogP1.22
Rot. Bonds5

About 3-[methyl(propyl)amino]propanoic acid;hydrochloride

3-[methyl(propyl)amino]propanoic acid;hydrochloride (PubChem CID 50988219) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 3-[methyl(propyl)amino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-[methyl(propyl)amino]propanoic acid;hydrochloride
PubChem CID50988219
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name3-[methyl(propyl)amino]propanoic acid;hydrochloride
SMILESCCCN(C)CCC(=O)O.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-3-5-8(2)6-4-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H
InChIKeyWLIFTHKRBQABSU-UHFFFAOYSA-N
XLogP1.22
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl(propyl)amino]propanoic acid;hydrochloride?
The IUPAC name of 3-[methyl(propyl)amino]propanoic acid;hydrochloride (CID 50988219) is 3-[methyl(propyl)amino]propanoic acid;hydrochloride.
What is the SMILES notation for 3-[methyl(propyl)amino]propanoic acid;hydrochloride?
The canonical SMILES for 3-[methyl(propyl)amino]propanoic acid;hydrochloride is CCCN(C)CCC(=O)O.Cl.
What is the InChIKey of 3-[methyl(propyl)amino]propanoic acid;hydrochloride?
The InChIKey is WLIFTHKRBQABSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-3-5-8(2)6-4-7(9)10;/h3-6H2,1-2H3,(H,9,10);1H.
What are the key properties of 3-[methyl(propyl)amino]propanoic acid;hydrochloride?
3-[methyl(propyl)amino]propanoic acid;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(propyl)amino]propanoic acid;hydrochloride is sourced from PubChem (CID 50988219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).