(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid

C10H12FNO2S — CID 15453674

IUPAC(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H12FNO2S/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1
InChIKeyNZOOJAXDPAMBHS-VIFPVBQESA-N
MW229.28 g/mol
LogP1.47
Rot. Bonds5

About (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid

(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid (PubChem CID 15453674) has the molecular formula C10H12FNO2S and a molecular weight of 229.28 g/mol. Its IUPAC name is (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid
PubChem CID15453674
Molecular FormulaC10H12FNO2S
Molecular Weight229.28 g/mol
Exact Mass229.06
IUPAC Name(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1ccc(F)cc1)C(=O)O
InChIInChI=1S/C10H12FNO2S/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1
InChIKeyNZOOJAXDPAMBHS-VIFPVBQESA-N
XLogP1.47
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid (CID 15453674) is (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid is N[C@@H](CSCc1ccc(F)cc1)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid?
The InChIKey is NZOOJAXDPAMBHS-VIFPVBQESA-N. The full InChI is InChI=1S/C10H12FNO2S/c11-8-3-1-7(2-4-8)5-15-6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[(4-fluorophenyl)methylsulfanyl]propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 1.47, 5 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)methylsulfanyl]propanoic acid is sourced from PubChem (CID 15453674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).