1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid

C8H10F3NO3S — CID 120530428

IUPAC1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(CSCC(F)(F)F)NC1(C(=O)O)CC1
InChIInChI=1S/C8H10F3NO3S/c9-8(10,11)4-16-3-5(13)12-7(1-2-7)6(14)15/h1-4H2,(H,12,13)(H,14,15)
InChIKeyMHYDPZGEBTZSGZ-UHFFFAOYSA-N
MW257.23 g/mol
LogP1.02
Rot. Bonds5

About 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid

1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid (PubChem CID 120530428) has the molecular formula C8H10F3NO3S and a molecular weight of 257.23 g/mol. Its IUPAC name is 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid
PubChem CID120530428
Molecular FormulaC8H10F3NO3S
Molecular Weight257.23 g/mol
Exact Mass257.03
IUPAC Name1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid
SMILESO=C(CSCC(F)(F)F)NC1(C(=O)O)CC1
InChIInChI=1S/C8H10F3NO3S/c9-8(10,11)4-16-3-5(13)12-7(1-2-7)6(14)15/h1-4H2,(H,12,13)(H,14,15)
InChIKeyMHYDPZGEBTZSGZ-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclohexane-1-carboxylic acid
CID 120529980
3-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]thiolane-3-carboxylic acid
CID 120531361
1-[(2-benzylsulfanylacetyl)amino]cyclobutane-1-carboxylic acid
CID 81158714
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
CID 65463687
1-[(2-butylsulfanylacetyl)amino]cycloheptane-1-carboxylic acid
CID 43360681
4-(3,3,3-trifluoropropanoylamino)oxane-4-carboxylic acid
CID 71222479
1-[[2-[(3,5-dimethylphenyl)methylsulfanyl]acetyl]amino]cyclopentane-1-carboxylic acid
CID 118790500
4-hydroxy-1-[2-(2,2,2-trifluoroethylsulfanyl)acetyl]piperidine-4-carboxylic acid
CID 120528109
4-[(2-methylsulfanylacetyl)amino]oxane-4-carboxylic acid
CID 115291747
cis-(1S,3R)-3-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 120675651
1-(5,5-dimethylhexanoylamino)cyclopropane-1-carboxylic acid
CID 115910145
1-[[2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]acetyl]amino]cyclopropane-1-carboxylic acid
CID 120530603

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid (CID 120530428) is 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid is O=C(CSCC(F)(F)F)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid?
The InChIKey is MHYDPZGEBTZSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3S/c9-8(10,11)4-16-3-5(13)12-7(1-2-7)6(14)15/h1-4H2,(H,12,13)(H,14,15).
What are the key properties of 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid?
1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid has a molecular weight of 257.23 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120530428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).