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

C15H14ClNO2 — CID 135366041

IUPAC3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14(17)9-15(18)19/h1-8,14H,9,17H2,(H,18,19)
InChIKeyJUPKMBAMXZNESF-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.48
Rot. Bonds4

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

3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid (PubChem CID 135366041) has the molecular formula C15H14ClNO2 and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
PubChem CID135366041
Molecular FormulaC15H14ClNO2
Molecular Weight275.74 g/mol
Exact Mass275.07
IUPAC Name3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
SMILESNC(CC(=O)O)c1cccc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C15H14ClNO2/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14(17)9-15(18)19/h1-8,14H,9,17H2,(H,18,19)
InChIKeyJUPKMBAMXZNESF-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid
CID 135366038
3-amino-3-(3-chlorophenyl)propanoate
CID 22608540
(3S)-3-amino-3-[3-(2,6-dimethoxyphenyl)phenyl]propanoic acid
CID 135366920
3-amino-3-(3-chlorophenyl)propanamide;hydrochloride
CID 122360252
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
CID 135367202
ethyl (3S)-3-amino-3-(3-chlorophenyl)propanoate
CID 7047015
2-amino-2-[4-(3-chlorophenyl)phenyl]acetic acid
CID 77129538
3-amino-3-(4-chlorophenyl)propanoic acid;azane
CID 175752194
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
ethyl (3S)-3-amino-3-(3-phenylphenyl)propanoate
CID 140935655
3-(3-chlorophenyl)butanoic acid
CID 71683749

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid?
The IUPAC name of 3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid (CID 135366041) is 3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid?
The canonical SMILES for 3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid is NC(CC(=O)O)c1cccc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid?
The InChIKey is JUPKMBAMXZNESF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO2/c16-13-6-2-4-11(8-13)10-3-1-5-12(7-10)14(17)9-15(18)19/h1-8,14H,9,17H2,(H,18,19).
What are the key properties of 3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid?
3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid has a molecular weight of 275.74 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[3-(3-chlorophenyl)phenyl]propanoic acid is sourced from PubChem (CID 135366041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).