(2S)-2-amino-3-(4-fluorophenyl)propanoic acid

C9H10FNO2 — CID 716312

IUPAC(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyXWHHYOYVRVGJJY-QMMMGPOBSA-N
MW183.18 g/mol
LogP0.78
Rot. Bonds3

About (2S)-2-amino-3-(4-fluorophenyl)propanoic acid

(2S)-2-amino-3-(4-fluorophenyl)propanoic acid (PubChem CID 716312) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (2S)-2-amino-3-(4-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
PubChem CID716312
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
SMILESN[C@@H](Cc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyXWHHYOYVRVGJJY-QMMMGPOBSA-N
XLogP0.78
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-amino-3-(4-fluorophenyl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;hydrogen peroxide
CID 87135815
2-amino-3-(4-hydroxyphenyl)propanoic acid;λ2-plumbane
CID 175006953
(2R)-2-amino-3-[4-(aminomethyl)phenyl]propanoic acid
CID 7018015
(2S)-2-amino-3-(4-hydroxy(3,5-13C2)cyclohexa-1,3,5-trien-1-yl)propanoic acid
CID 162642143
2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoic acid
CID 170879935
(2S)-2-amino-3-((613C)cyclohexatrienyl)propanoic acid
CID 66995721
2-[(4-fluorophenyl)methyl]propanedioic acid
CID 15120643
(2S)-2-amino-3-[4-[deuterio(fluoro)methyl]phenyl]propanoic acid
CID 139665343
[(2S)-2-amino-3-(4-fluorophenyl)propanoyl] (2S)-2-amino-3-phenylpropanoate
CID 57161238
(2R)-2-amino-3-(4-hydroxyphenyl)propanoic acid;azane
CID 87217970
L-Tyrosine (disodium)
CID 66602062
2-amino-3-(4-arsanylphenyl)propanoic acid
CID 173173215

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(4-fluorophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(4-fluorophenyl)propanoic acid (CID 716312) is (2S)-2-amino-3-(4-fluorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(4-fluorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(4-fluorophenyl)propanoic acid is N[C@@H](Cc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(4-fluorophenyl)propanoic acid?
The InChIKey is XWHHYOYVRVGJJY-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-3-1-6(2-4-7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2S)-2-amino-3-(4-fluorophenyl)propanoic acid?
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid has a molecular weight of 183.18 g/mol, XLogP of 0.78, 3 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-fluorophenyl)propanoic acid is sourced from PubChem (CID 716312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).