(2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid

C9H10FNO2S — CID 10081995

IUPAC(2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid
SMILESN[C@@H](CSc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H10FNO2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyFYPZDFGIJISTBF-QMMMGPOBSA-N
MW215.25 g/mol
LogP1.33
Rot. Bonds4

About (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid

(2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid (PubChem CID 10081995) has the molecular formula C9H10FNO2S and a molecular weight of 215.25 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid
PubChem CID10081995
Molecular FormulaC9H10FNO2S
Molecular Weight215.25 g/mol
Exact Mass215.04
IUPAC Name(2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid
SMILESN[C@@H](CSc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C9H10FNO2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1
InChIKeyFYPZDFGIJISTBF-QMMMGPOBSA-N
XLogP1.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-benzyl-L-cysteine
CID 193613
Phenylmercapturic Acid
CID 2723735
beta-Phenylcysteine
CID 119462
2-Acetamido-3-phenylsulfanylpropanoic acid
CID 95526
H-D-Cys(Bzl)-OH
CID 76454
4-(3-Fluorobenzylthio)-2-aminobutanoic acid
CID 44408322
2-(2-Phenylsulfanylethylamino)acetic acid
CID 12201850
2-Amino-3-(benzylsulfanyl)propanoic acid
CID 220175
S-phenyl-l-cysteine sulfoxide
CID 101712556
3-(4-Fluorophenylthio)propanoic acid
CID 2778889
3-[(2-Fluorophenyl)sulfanyl]propanoic acid
CID 7131505
S-(4-Bromophenyl)-L-cysteine
CID 155170

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid?
The IUPAC name of (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid (CID 10081995) is (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid.
What is the SMILES notation for (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid?
The canonical SMILES for (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid is N[C@@H](CSc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid?
The InChIKey is FYPZDFGIJISTBF-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10FNO2S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4,8H,5,11H2,(H,12,13)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid?
(2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-fluorophenyl)sulfanylpropanoic acid is sourced from PubChem (CID 10081995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).