2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

C12H19F3N2O3 — CID 61204967

IUPAC2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(F)(F)F)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H19F3N2O3/c1-17(7-12(13,14)15)11(20)16-9(10(18)19)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyOXDOQEXDPAOUMF-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.22
Rot. Bonds4

About 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid

2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (PubChem CID 61204967) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
PubChem CID61204967
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Name2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
SMILESCN(CC(F)(F)F)C(=O)NC(C(=O)O)C1CCCCC1
InChIInChI=1S/C12H19F3N2O3/c1-17(7-12(13,14)15)11(20)16-9(10(18)19)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19)
InChIKeyOXDOQEXDPAOUMF-UHFFFAOYSA-N
XLogP2.22
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The IUPAC name of 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid (CID 61204967) is 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid.
What is the SMILES notation for 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The canonical SMILES for 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is CN(CC(F)(F)F)C(=O)NC(C(=O)O)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
The InChIKey is OXDOQEXDPAOUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-17(7-12(13,14)15)11(20)16-9(10(18)19)8-5-3-2-4-6-8/h8-9H,2-7H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid?
2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid has a molecular weight of 296.29 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid is sourced from PubChem (CID 61204967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).