2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid

C13H14FNO3S — CID 54945815

IUPAC2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CSc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H14FNO3S/c14-9-1-5-11(6-2-9)19-8-12(16)15(7-13(17)18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,17,18)
InChIKeyFKNQOZPIRFHFDX-UHFFFAOYSA-N
MW283.32 g/mol
LogP1.99
Rot. Bonds6

About 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid

2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid (PubChem CID 54945815) has the molecular formula C13H14FNO3S and a molecular weight of 283.32 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid
PubChem CID54945815
Molecular FormulaC13H14FNO3S
Molecular Weight283.32 g/mol
Exact Mass283.07
IUPAC Name2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)CSc1ccc(F)cc1)C1CC1
InChIInChI=1S/C13H14FNO3S/c14-9-1-5-11(6-2-9)19-8-12(16)15(7-13(17)18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,17,18)
InChIKeyFKNQOZPIRFHFDX-UHFFFAOYSA-N
XLogP1.99
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-amino-2-oxoethyl)-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid
CID 107434105
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
N-cyclopropyl-4-[[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]methyl]benzamide
CID 33339728
2-[cyclopropyl-[4-(4-fluorophenoxy)butanoyl]amino]acetic acid
CID 60825538
2-[4-(4-chlorophenyl)sulfanylbutanoyl-cyclopropylamino]acetic acid
CID 60826867
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
ethyl 2-[[2-(4-chlorophenyl)sulfanylacetyl]-cyclopropylamino]acetate
CID 61410210
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-2-(4-fluorophenyl)sulfanylacetamide
CID 18190229
methyl 2-[cyclopentyl-(2-phenylsulfanylacetyl)amino]acetate
CID 80718069
2-[cyclopropyl-(4-methylsulfanylbenzoyl)amino]acetic acid
CID 54946184
3-cyclopropyl-3-[[2-(4-fluorophenyl)sulfanylacetyl]amino]propanoic acid
CID 81362814
4-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]sulfanylbenzoic acid
CID 54957181

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid (CID 54945815) is 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid is O=C(O)CN(C(=O)CSc1ccc(F)cc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid?
The InChIKey is FKNQOZPIRFHFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3S/c14-9-1-5-11(6-2-9)19-8-12(16)15(7-13(17)18)10-3-4-10/h1-2,5-6,10H,3-4,7-8H2,(H,17,18).
What are the key properties of 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid?
2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid has a molecular weight of 283.32 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-fluorophenyl)sulfanylacetyl]amino]acetic acid is sourced from PubChem (CID 54945815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).