1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid

C7H9F3N2O3 — CID 65463687

IUPAC1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1(C(=O)O)CC1
InChIInChI=1S/C7H9F3N2O3/c8-7(9,10)3-11-5(15)12-6(1-2-6)4(13)14/h1-3H2,(H,13,14)(H2,11,12,15)
InChIKeyWWBFXVZRQZDHGW-UHFFFAOYSA-N
MW226.15 g/mol
LogP0.47
Rot. Bonds3

About 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid

1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid (PubChem CID 65463687) has the molecular formula C7H9F3N2O3 and a molecular weight of 226.15 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
PubChem CID65463687
Molecular FormulaC7H9F3N2O3
Molecular Weight226.15 g/mol
Exact Mass226.06
IUPAC Name1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1(C(=O)O)CC1
InChIInChI=1S/C7H9F3N2O3/c8-7(9,10)3-11-5(15)12-6(1-2-6)4(13)14/h1-3H2,(H,13,14)(H2,11,12,15)
InChIKeyWWBFXVZRQZDHGW-UHFFFAOYSA-N
XLogP0.47
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 16782299
2-Methyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 16786220
2-Cyclopropyl-2-(2,2,2-trifluoroethylcarbamoylamino)propanoic acid
CID 16791167
3-Methyl-2-(2,2,2-trifluoroethylcarbamoylamino)butanoic acid
CID 16791499
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009565
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 55009662
2-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009802
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methylbutanoic acid
CID 55009808
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009809
2-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 55009856
(2S)-2-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
CID 55009905
3-Methyl-2-(3,3,3-trifluoropropylcarbamoylamino)butanoic acid
CID 55174760

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid (CID 65463687) is 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid is O=C(NCC(F)(F)F)NC1(C(=O)O)CC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid?
The InChIKey is WWBFXVZRQZDHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O3/c8-7(9,10)3-11-5(15)12-6(1-2-6)4(13)14/h1-3H2,(H,13,14)(H2,11,12,15).
What are the key properties of 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid?
1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid has a molecular weight of 226.15 g/mol, XLogP of 0.47, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylcarbamoylamino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 65463687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).