2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride

C10H13Cl2NO2 — CID 42935488

IUPAC2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride
SMILESCC(NCc1ccccc1Cl)C(=O)O.Cl
InChIInChI=1S/C10H12ClNO2.ClH/c1-7(10(13)14)12-6-8-4-2-3-5-9(8)11;/h2-5,7,12H,6H2,1H3,(H,13,14);1H
InChIKeyWCFYWXLAYRHLIE-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.32
Rot. Bonds4

About 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride

2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride (PubChem CID 42935488) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride
PubChem CID42935488
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride
SMILESCC(NCc1ccccc1Cl)C(=O)O.Cl
InChIInChI=1S/C10H12ClNO2.ClH/c1-7(10(13)14)12-6-8-4-2-3-5-9(8)11;/h2-5,7,12H,6H2,1H3,(H,13,14);1H
InChIKeyWCFYWXLAYRHLIE-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride?
The IUPAC name of 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride (CID 42935488) is 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride.
What is the SMILES notation for 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride?
The canonical SMILES for 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride is CC(NCc1ccccc1Cl)C(=O)O.Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride?
The InChIKey is WCFYWXLAYRHLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2.ClH/c1-7(10(13)14)12-6-8-4-2-3-5-9(8)11;/h2-5,7,12H,6H2,1H3,(H,13,14);1H.
What are the key properties of 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride?
2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride has a molecular weight of 250.12 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylamino]propanoic acid;hydrochloride is sourced from PubChem (CID 42935488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).