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

C15H14ClNO2 — CID 70052884

IUPAC(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C15H14ClNO2/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)/t14-/m0/s1
InChIKeyYNAJOMWNXOKORZ-AWEZNQCLSA-N
MW275.74 g/mol
LogP2.96
Rot. Bonds4

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

(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid (PubChem CID 70052884) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
PubChem CID70052884
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
SMILESN[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O
InChIInChI=1S/C15H14ClNO2/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)/t14-/m0/s1
InChIKeyYNAJOMWNXOKORZ-AWEZNQCLSA-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

2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid
CID 19094367
2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid;hydrochloride
CID 70052889
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
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
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 (2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid?
The IUPAC name of (2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid (CID 70052884) is (2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid?
The canonical SMILES for (2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid is N[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid?
The InChIKey is YNAJOMWNXOKORZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14ClNO2/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)/t14-/m0/s1.
What are the key properties of (2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid?
(2S)-2-amino-3-[4-(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 (2S)-2-amino-3-[4-(4-chlorophenyl)phenyl]propanoic acid is sourced from PubChem (CID 70052884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).