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

C9H10FNO2 — CID 716319

IUPAC(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyNYCRCTMDYITATC-QMMMGPOBSA-N
MW183.18 g/mol
LogP0.78
Rot. Bonds3

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

(2S)-2-amino-3-(2-fluorophenyl)propanoic acid (PubChem CID 716319) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (2S)-2-amino-3-(2-fluorophenyl)propanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
PubChem CID716319
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(2S)-2-amino-3-(2-fluorophenyl)propanoic acid
SMILESN[C@@H](Cc1ccccc1F)C(=O)O
InChIInChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(7)5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyNYCRCTMDYITATC-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

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Related Compounds

bis(2-amino-3-(2-fluorophenyl)propanoic acid);hydrate
CID 78291296
(2S)-2-amino-3-(2-amino-3-fluorophenyl)propanoic acid
CID 55270399
2-amino-3-[2-(fluoromethyl)phenyl]propanoic acid
CID 18439515
2-amino-3-(2-fluorophenyl)-N-methylpropanamide
CID 116850583
2-amino-1-(2-fluorophenyl)pentan-3-one
CID 77428239
methyl (2R)-2-amino-3-(2-fluorophenyl)propanoate;hydrochloride
CID 69489037
(2R)-2-amino-1-(2-fluorophenyl)-4,4-dimethylpentan-3-one
CID 58458324
(2R)-2-(aminomethyl)-3-(2-fluorophenyl)propanoic acid
CID 42329482
(2R)-2-amino-3-(2-(131I)iodophenyl)propanoic acid
CID 10447189
(2R)-2-amino-3-(2-bromophenyl)propanoic acid
CID 7023575
2-amino-3-(2-fluoro-5-hydroxyphenyl)propanoic acid
CID 14211589
(2S)-2-amino-3-(2-fluoro-5-iodophenyl)propanoic acid
CID 130612428

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-(2-fluorophenyl)propanoic acid?
The IUPAC name of (2S)-2-amino-3-(2-fluorophenyl)propanoic acid (CID 716319) is (2S)-2-amino-3-(2-fluorophenyl)propanoic acid.
What is the SMILES notation for (2S)-2-amino-3-(2-fluorophenyl)propanoic acid?
The canonical SMILES for (2S)-2-amino-3-(2-fluorophenyl)propanoic acid is N[C@@H](Cc1ccccc1F)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-(2-fluorophenyl)propanoic acid?
The InChIKey is NYCRCTMDYITATC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-7-4-2-1-3-6(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-(2-fluorophenyl)propanoic acid?
(2S)-2-amino-3-(2-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-(2-fluorophenyl)propanoic acid is sourced from PubChem (CID 716319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).