2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid

C12H14FNO2S — CID 63917662

IUPAC2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid
SMILESNC(CSc1ccccc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H14FNO2S/c13-9-3-1-2-4-10(9)17-7-12(14,11(15)16)8-5-6-8/h1-4,8H,5-7,14H2,(H,15,16)
InChIKeyCPYRENBLCKNYMC-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.11
Rot. Bonds5

About 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid

2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid (PubChem CID 63917662) has the molecular formula C12H14FNO2S and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid
PubChem CID63917662
Molecular FormulaC12H14FNO2S
Molecular Weight255.31 g/mol
Exact Mass255.07
IUPAC Name2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid
SMILESNC(CSc1ccccc1F)(C(=O)O)C1CC1
InChIInChI=1S/C12H14FNO2S/c13-9-3-1-2-4-10(9)17-7-12(14,11(15)16)8-5-6-8/h1-4,8H,5-7,14H2,(H,15,16)
InChIKeyCPYRENBLCKNYMC-UHFFFAOYSA-N
XLogP2.11
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R,2R)-1-carboxy-2-phenylsulfanylcyclobutyl]azanium
CID 134974393
[(1R,2S)-1-carboxy-2-phenylsulfanylcyclobutyl]azanium
CID 134974589
2-Amino-4-(4-fluorophenyl)sulfanylbutanoic acid
CID 19431795
2-Cyclopropyl-2-[[2-(3,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 43172544
2-Cyclopropyl-2-[[2-(2,4-difluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 43172546
2-Cyclopropyl-2-[[2-(2-fluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 43360331
2-Cyclopropyl-2-[3-(4-fluorophenyl)sulfanylpropanoylamino]propanoic acid
CID 43360334
2-Cyclopropyl-2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 43360353
2-Cyclopropyl-2-[3-(2-fluorophenyl)sulfanylpropanoylamino]propanoic acid
CID 43360430
2-[[2-(4-Fluorophenyl)sulfanylacetyl]amino]-2-methylpentanoic acid
CID 43618716
2-[3-(4-Fluorophenyl)sulfanylpropanoylamino]-2-methylpentanoic acid
CID 43618741
2-[[2-(2-Fluorophenyl)sulfanylacetyl]amino]-2-methylpentanoic acid
CID 43618745

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid?
The IUPAC name of 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid (CID 63917662) is 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid.
What is the SMILES notation for 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid?
The canonical SMILES for 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid is NC(CSc1ccccc1F)(C(=O)O)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid?
The InChIKey is CPYRENBLCKNYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2S/c13-9-3-1-2-4-10(9)17-7-12(14,11(15)16)8-5-6-8/h1-4,8H,5-7,14H2,(H,15,16).
What are the key properties of 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid?
2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid has a molecular weight of 255.31 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-3-(2-fluorophenyl)sulfanylpropanoic acid is sourced from PubChem (CID 63917662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).