4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride

C10H13Cl2NO2 — CID 6602720

IUPAC4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
SMILESCl.NCC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H
InChIKeyWMNUVYYLMCMHLU-UHFFFAOYSA-N
MW250.12 g/mol
LogP2.28
Rot. Bonds4

About 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride

4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride (PubChem CID 6602720) has the molecular formula C10H13Cl2NO2 and a molecular weight of 250.12 g/mol. Its IUPAC name is 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride.

Molecular Properties

Compound Name4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
PubChem CID6602720
Molecular FormulaC10H13Cl2NO2
Molecular Weight250.12 g/mol
Exact Mass249.03
IUPAC Name4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride
SMILESCl.NCC(CC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H
InChIKeyWMNUVYYLMCMHLU-UHFFFAOYSA-N
XLogP2.28
TPSA63.32 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 ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride?
The IUPAC name of 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride (CID 6602720) is 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride.
What is the SMILES notation for 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride?
The canonical SMILES for 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride is Cl.NCC(CC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride?
The InChIKey is WMNUVYYLMCMHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2.ClH/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14;/h1-4,8H,5-6,12H2,(H,13,14);1H.
What are the key properties of 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride?
4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride has a molecular weight of 250.12 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(4-chlorophenyl)butanoic acid;hydrochloride is sourced from PubChem (CID 6602720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).