2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride

C15H15Cl2NO2 — CID 70052889

IUPAC2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C15H14ClNO2.ClH/c16-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)15(18)19;/h1-8,14H,9,17H2,(H,18,19);1H
InChIKeyKJTDUGZJUJVXOZ-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.38
Rot. Bonds4

About 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride

2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride (PubChem CID 70052889) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
PubChem CID70052889
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC Name2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
SMILESCl.NC(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C15H14ClNO2.ClH/c16-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)15(18)19;/h1-8,14H,9,17H2,(H,18,19);1H
InChIKeyKJTDUGZJUJVXOZ-UHFFFAOYSA-N
XLogP3.38
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 70052884
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
2-amino-3-(4-chlorophenyl)propanoic acid;3-(4-chlorophenyl)-2-methylpropanoic acid
CID 160717719
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
CID 170879584
2-amino-3-phenylpropanoic acid;chlorobenzene
CID 174438338
2-amino-3-(4-chlorophenyl)propanoic acid;2-amino-3-methylbutanoic acid
CID 22411398
(2S)-2-amino-3-[4-[(4-chlorophenyl)carbamoylamino]phenyl]propanoic acid
CID 130323263
methyl 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoate
CID 57045701
2-acetamido-3-(4-chlorophenyl)propanoic acid;(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 158648448
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
2-amino-3-[4-(4-methoxyphenyl)phenyl]propanoic acid
CID 23285642

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride (CID 70052889) is 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride is Cl.NC(Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O.
What is the InChIKey of 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride?
The InChIKey is KJTDUGZJUJVXOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2.ClH/c16-13-7-5-12(6-8-13)11-3-1-10(2-4-11)9-14(17)15(18)19;/h1-8,14H,9,17H2,(H,18,19);1H.
What are the key properties of 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride?
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride has a molecular weight of 312.20 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride is sourced from PubChem (CID 70052889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).