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

C14H12ClNO2 — CID 77129538

IUPAC2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(16)14(17)18/h1-8,13H,16H2,(H,17,18)
InChIKeyMYWRWJAMFXSOGB-UHFFFAOYSA-N
MW261.71 g/mol
LogP3.09
Rot. Bonds3

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

2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid (PubChem CID 77129538) has the molecular formula C14H12ClNO2 and a molecular weight of 261.71 g/mol. Its IUPAC name is 2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
PubChem CID77129538
Molecular FormulaC14H12ClNO2
Molecular Weight261.71 g/mol
Exact Mass261.06
IUPAC Name2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
SMILESNC(C(=O)O)c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H12ClNO2/c15-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(16)14(17)18/h1-8,13H,16H2,(H,17,18)
InChIKeyMYWRWJAMFXSOGB-UHFFFAOYSA-N
XLogP3.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.71
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-amino-2-(3-chlorophenyl)acetic acid;hydrochloride
CID 91800311
1-[4-(3-chlorophenyl)phenyl]ethanamine
CID 43826632
4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoic acid
CID 123714771
(3S)-3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366038
3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366041
2-amino-2-[4-(4-fluorophenyl)phenyl]acetic acid
CID 77129028
2-amino-2-(4-pyridin-3-ylphenyl)acetic acid
CID 77129112
(2R)-3-amino-4-[4-(3-chlorophenyl)phenyl]-2-methoxybutanoic acid
CID 141436142
(2R)-2-amino-2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)acetic acid
CID 71309299
2-amino-2-phenylacetic acid;benzene
CID 18446848
4-(3-chlorophenyl)benzoate
CID 7021697
2-[amino-(3-chlorophenyl)methyl]prop-2-enoic acid
CID 72672685

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid?
The IUPAC name of 2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid (CID 77129538) is 2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid?
The canonical SMILES for 2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid is NC(C(=O)O)c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid?
The InChIKey is MYWRWJAMFXSOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO2/c15-12-3-1-2-11(8-12)9-4-6-10(7-5-9)13(16)14(17)18/h1-8,13H,16H2,(H,17,18).
What are the key properties of 2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid?
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid has a molecular weight of 261.71 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid is sourced from PubChem (CID 77129538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).