2-(benzylamino)propanoic acid;hydrochloride

C10H14ClNO2 — CID 42935510

IUPAC2-(benzylamino)propanoic acid;hydrochloride
SMILESCC(NCc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-8(10(12)13)11-7-9-5-3-2-4-6-9;/h2-6,8,11H,7H2,1H3,(H,12,13);1H
InChIKeyGZAYAHLVTOOUMY-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.67
Rot. Bonds4

About 2-(benzylamino)propanoic acid;hydrochloride

2-(benzylamino)propanoic acid;hydrochloride (PubChem CID 42935510) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(benzylamino)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-(benzylamino)propanoic acid;hydrochloride
PubChem CID42935510
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-(benzylamino)propanoic acid;hydrochloride
SMILESCC(NCc1ccccc1)C(=O)O.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-8(10(12)13)11-7-9-5-3-2-4-6-9;/h2-6,8,11H,7H2,1H3,(H,12,13);1H
InChIKeyGZAYAHLVTOOUMY-UHFFFAOYSA-N
XLogP1.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)propanoic acid;hydrochloride?
The IUPAC name of 2-(benzylamino)propanoic acid;hydrochloride (CID 42935510) is 2-(benzylamino)propanoic acid;hydrochloride.
What is the SMILES notation for 2-(benzylamino)propanoic acid;hydrochloride?
The canonical SMILES for 2-(benzylamino)propanoic acid;hydrochloride is CC(NCc1ccccc1)C(=O)O.Cl.
What is the InChIKey of 2-(benzylamino)propanoic acid;hydrochloride?
The InChIKey is GZAYAHLVTOOUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-8(10(12)13)11-7-9-5-3-2-4-6-9;/h2-6,8,11H,7H2,1H3,(H,12,13);1H.
What are the key properties of 2-(benzylamino)propanoic acid;hydrochloride?
2-(benzylamino)propanoic acid;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)propanoic acid;hydrochloride is sourced from PubChem (CID 42935510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).