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

C15H14ClNO2 — CID 165352758

IUPAC(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
SMILESC[C@](N)(C(=O)O)c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-15(17,14(18)19)12-6-2-4-10(8-12)11-5-3-7-13(16)9-11/h2-9H,17H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyBJQLKFFIMGCOHV-OAHLLOKOSA-N
MW275.74 g/mol
LogP3.27
Rot. Bonds3

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

(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid (PubChem CID 165352758) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is (2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
PubChem CID165352758
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid
SMILESC[C@](N)(C(=O)O)c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c1-15(17,14(18)19)12-6-2-4-10(8-12)11-5-3-7-13(16)9-11/h2-9H,17H2,1H3,(H,18,19)/t15-/m1/s1
InChIKeyBJQLKFFIMGCOHV-OAHLLOKOSA-N
XLogP3.27
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(3-chlorophenyl)phenyl]-2-methylpropanoic acid
CID 10236331
2-(3-chlorophenyl)-2-methylpropanoic acid
CID 15582644
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
(2R)-2-amino-2-(3-methylsulfanylphenyl)propanoic acid
CID 130721988
tert-butyl 2-amino-2-(3-chlorophenyl)propanoate;hydrochloride
CID 138401045
(2S)-2-amino-2-(3,4-dichlorophenyl)propanoic acid;hydrochloride
CID 68715954
3-amino-3-(3-chlorophenyl)butanoic acid
CID 64664943
(2S)-2-amino-2-[3-(carboxymethyl)phenyl]propanoic acid
CID 6604768
2-amino-2-(3-chlorophenyl)butanoic acid
CID 24690469
(2S)-2-amino-2-(4-chloro-3-iodophenyl)propanoic acid
CID 130701560
(2S)-2-amino-2-(4-chloro-3-fluorophenyl)propanoic acid
CID 130713709
2-amino-2-(3,4-dimethylphenyl)propanoic acid
CID 24711823

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid?
The IUPAC name of (2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid (CID 165352758) is (2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid is C[C@](N)(C(=O)O)c1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of (2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid?
The InChIKey is BJQLKFFIMGCOHV-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H14ClNO2/c1-15(17,14(18)19)12-6-2-4-10(8-12)11-5-3-7-13(16)9-11/h2-9H,17H2,1H3,(H,18,19)/t15-/m1/s1.
What are the key properties of (2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid?
(2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid has a molecular weight of 275.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[3-(3-chlorophenyl)phenyl]propanoic acid is sourced from PubChem (CID 165352758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).