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

C15H14ClNO2 — CID 170879584

IUPAC2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
SMILESNC(Cc1cccc(-c2ccc(Cl)cc2)c1)C(=O)O
InChIInChI=1S/C15H14ClNO2/c16-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14(17)15(18)19/h1-8,14H,9,17H2,(H,18,19)
InChIKeyZFWAAOUXIZWOKW-UHFFFAOYSA-N
MW275.74 g/mol
LogP2.96
Rot. Bonds4

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

2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid (PubChem CID 170879584) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
PubChem CID170879584
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid
SMILESNC(Cc1cccc(-c2ccc(Cl)cc2)c1)C(=O)O
InChIInChI=1S/C15H14ClNO2/c16-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14(17)15(18)19/h1-8,14H,9,17H2,(H,18,19)
InChIKeyZFWAAOUXIZWOKW-UHFFFAOYSA-N
XLogP2.96
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 52.96
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
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889
(2S)-2-amino-3-[3-(3-methylphenyl)phenyl]propanoic acid
CID 172529545
3-[3-(2-amino-2-carboxyethyl)phenyl]benzoic acid
CID 45101472
2-amino-3-phenylpropanoic acid;chlorobenzene
CID 174438338
(2S)-2-amino-3-phenylpropanoic acid;1,1'-biphenyl
CID 67133421
(2S)-2-amino-3-(3-pyridin-3-ylphenyl)propanoic acid
CID 171702919
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
3-[[3-(3-phenylphenyl)phenyl]methyl]pentane-2,4-dione
CID 70902423
(2S)-2-amino-3-(2-chlorophenyl)propanoic acid;(2S)-2-amino-3-(3-chlorophenyl)propanoic acid;(2S)-2-amino-3-(4-chlorophenyl)propanoic acid
CID 160968473
(2S)-2-amino-3-[3-(hydroxymethyl)phenyl]propanoic acid
CID 67059715

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid?
The IUPAC name of 2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid (CID 170879584) is 2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid.
What is the SMILES notation for 2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid?
The canonical SMILES for 2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid is NC(Cc1cccc(-c2ccc(Cl)cc2)c1)C(=O)O.
What is the InChIKey of 2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid?
The InChIKey is ZFWAAOUXIZWOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-6-4-11(5-7-13)12-3-1-2-10(8-12)9-14(17)15(18)19/h1-8,14H,9,17H2,(H,18,19).
What are the key properties of 2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid?
2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid has a molecular weight of 275.74 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[3-(4-chlorophenyl)phenyl]propanoic acid is sourced from PubChem (CID 170879584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).