2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride

C9H10Cl3NO2 — CID 11380226

IUPAC2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C9H9Cl2NO2.ClH/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14;/h1-2,4,8H,3,12H2,(H,13,14);1H
InChIKeyVAISQIUJIKNCPW-UHFFFAOYSA-N
MW270.54 g/mol
LogP2.37
Rot. Bonds3

About 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride

2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride (PubChem CID 11380226) has the molecular formula C9H10Cl3NO2 and a molecular weight of 270.54 g/mol. Its IUPAC name is 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
PubChem CID11380226
Molecular FormulaC9H10Cl3NO2
Molecular Weight270.54 g/mol
Exact Mass268.98
IUPAC Name2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1cc(Cl)cc(Cl)c1)C(=O)O
InChIInChI=1S/C9H9Cl2NO2.ClH/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14;/h1-2,4,8H,3,12H2,(H,13,14);1H
InChIKeyVAISQIUJIKNCPW-UHFFFAOYSA-N
XLogP2.37
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.54
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889
2-amino-3-phenylpropanoic acid;chlorobenzene
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(2S)-3-(3,5-dichlorophenyl)-2-methylpropanoic acid
CID 95001565
(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 70052884
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
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CID 57367824
(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid;hydrochloride
CID 71742199
(2S)-2-amino-3-(3-chloro-4-hydroxy-5-propan-2-ylphenyl)propanoic acid
CID 139968561
(2S)-2-amino-3-(2,5-dichlorophenyl)propanoic acid;hydrochloride
CID 71741657
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
CID 170879584
alumane;2-amino-3-phenylpropanoic acid;zirconium;hydrochloride
CID 173334199

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride (CID 11380226) is 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride is Cl.NC(Cc1cc(Cl)cc(Cl)c1)C(=O)O.
What is the InChIKey of 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride?
The InChIKey is VAISQIUJIKNCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2.ClH/c10-6-1-5(2-7(11)4-6)3-8(12)9(13)14;/h1-2,4,8H,3,12H2,(H,13,14);1H.
What are the key properties of 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride?
2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride has a molecular weight of 270.54 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,5-dichlorophenyl)propanoic acid;hydrochloride is sourced from PubChem (CID 11380226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).