(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid

C15H14FNO2 — CID 135365867

IUPAC(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C15H14FNO2/c16-13-7-6-11(14(17)9-15(18)19)8-12(13)10-4-2-1-3-5-10/h1-8,14H,9,17H2,(H,18,19)/t14-/m0/s1
InChIKeyIVPWLAZBPGNVGX-AWEZNQCLSA-N
MW259.28 g/mol
LogP2.97
Rot. Bonds4

About (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid

(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid (PubChem CID 135365867) has the molecular formula C15H14FNO2 and a molecular weight of 259.28 g/mol. Its IUPAC name is (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
PubChem CID135365867
Molecular FormulaC15H14FNO2
Molecular Weight259.28 g/mol
Exact Mass259.10
IUPAC Name(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
SMILESN[C@@H](CC(=O)O)c1ccc(F)c(-c2ccccc2)c1
InChIInChI=1S/C15H14FNO2/c16-13-7-6-11(14(17)9-15(18)19)8-12(13)10-4-2-1-3-5-10/h1-8,14H,9,17H2,(H,18,19)/t14-/m0/s1
InChIKeyIVPWLAZBPGNVGX-AWEZNQCLSA-N
XLogP2.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-(4-methoxy-3-phenylphenyl)propanoic acid
CID 135366641
3-cyclopropyl-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 117457802
(3S)-3-amino-3-(4-fluoro-3-iodophenyl)propanoic acid
CID 131224032
3-amino-3-(3-fluoro-4-methylphenyl)propanoic acid
CID 18526009
3-amino-3-(3-ethyl-4-fluorophenyl)propanoic acid
CID 117301399
3-amino-3-[3-(2,4-difluorophenyl)phenyl]propanoic acid
CID 135367202
3-amino-3-[4-fluoro-3-(trifluoromethyl)phenyl]propanoic acid
CID 79021977
3-[4-fluoro-3-(4-hydroxyphenyl)phenyl]butanoic acid
CID 82543299
(3S)-3-amino-3-(4-chloro-3-fluorophenyl)propanoic acid
CID 78974752
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128
(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
3-amino-3-(4-fluoro-3-nitrophenyl)propanoic acid
CID 52950301

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid?
The IUPAC name of (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid (CID 135365867) is (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid.
What is the SMILES notation for (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid?
The canonical SMILES for (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid is N[C@@H](CC(=O)O)c1ccc(F)c(-c2ccccc2)c1.
What is the InChIKey of (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid?
The InChIKey is IVPWLAZBPGNVGX-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14FNO2/c16-13-7-6-11(14(17)9-15(18)19)8-12(13)10-4-2-1-3-5-10/h1-8,14H,9,17H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid?
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid has a molecular weight of 259.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid is sourced from PubChem (CID 135365867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).