(2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid

C10H11F2NO2S — CID 61141521

IUPAC(2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C10H11F2NO2S/c11-7-3-1-2-6(9(7)12)4-16-5-8(13)10(14)15/h1-3,8H,4-5,13H2,(H,14,15)/t8-/m0/s1
InChIKeyFSTHTLQBZZDXAZ-QMMMGPOBSA-N
MW247.27 g/mol
LogP1.61
Rot. Bonds5

About (2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid

(2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid (PubChem CID 61141521) has the molecular formula C10H11F2NO2S and a molecular weight of 247.27 g/mol. Its IUPAC name is (2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid
PubChem CID61141521
Molecular FormulaC10H11F2NO2S
Molecular Weight247.27 g/mol
Exact Mass247.05
IUPAC Name(2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid
SMILESN[C@@H](CSCc1cccc(F)c1F)C(=O)O
InChIInChI=1S/C10H11F2NO2S/c11-7-3-1-2-6(9(7)12)4-16-5-8(13)10(14)15/h1-3,8H,4-5,13H2,(H,14,15)/t8-/m0/s1
InChIKeyFSTHTLQBZZDXAZ-QMMMGPOBSA-N
XLogP1.61
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

S-benzyl-L-cysteine
CID 193613
S-Trityl-L-Cysteine
CID 76044
Cysteine, S-diphenylmethyl-, L-
CID 21261
Tritylthioalanine
CID 256411
H-D-Cys(Bzl)-OH
CID 76454
S-Benzyl-L-homocysteine
CID 11736265
Cysteine, S-[(2-chlorophenyl)methyl]-
CID 3318371
Benzylmercapturic acid
CID 107816
(2R)-2-amino-3-[(1,1-diphenylpropyl)sulfanyl]propanoic acid
CID 24806224
(2R)-2-amino-3-[(1,1-diphenylpentyl)sulfanyl]propanoic acid
CID 24806225
(2R)-2-amino-3-[(2-methyl-1,1-diphenylpropyl)sulfanyl]propanoic acid
CID 24806226
(2R)-2-amino-3-[(cyclohexyldiphenylmethyl)sulfanyl]propanoic acid
CID 24806227

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid?
The IUPAC name of (2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid (CID 61141521) is (2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid.
What is the SMILES notation for (2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid?
The canonical SMILES for (2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid is N[C@@H](CSCc1cccc(F)c1F)C(=O)O.
What is the InChIKey of (2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid?
The InChIKey is FSTHTLQBZZDXAZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H11F2NO2S/c11-7-3-1-2-6(9(7)12)4-16-5-8(13)10(14)15/h1-3,8H,4-5,13H2,(H,14,15)/t8-/m0/s1.
What are the key properties of (2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid?
(2R)-2-amino-3-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid has a molecular weight of 247.27 g/mol, XLogP of 1.61, 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-[(2,3-difluorophenyl)methylsulfanyl]propanoic acid is sourced from PubChem (CID 61141521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).