1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

C10H15F3N2O3 — CID 115451479

IUPAC1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-15(6-10(11,12)13)8(18)14-5-9(3-4-9)7(16)17/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyQPRQHVJKNMOJRT-UHFFFAOYSA-N
MW268.23 g/mol
LogP1.45
Rot. Bonds5

About 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid

1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 115451479) has the molecular formula C10H15F3N2O3 and a molecular weight of 268.23 g/mol. Its IUPAC name is 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID115451479
Molecular FormulaC10H15F3N2O3
Molecular Weight268.23 g/mol
Exact Mass268.10
IUPAC Name1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
SMILESCCN(CC(F)(F)F)C(=O)NCC1(C(=O)O)CC1
InChIInChI=1S/C10H15F3N2O3/c1-2-15(6-10(11,12)13)8(18)14-5-9(3-4-9)7(16)17/h2-6H2,1H3,(H,14,18)(H,16,17)
InChIKeyQPRQHVJKNMOJRT-UHFFFAOYSA-N
XLogP1.45
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid with MolForge

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Related Compounds

1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[[[ethyl(2-methylpropyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451233
1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 107481926
1-[[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451439
4-methyl-1-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442989
1-[[[butyl(ethyl)carbamoyl]amino]methyl]cycloheptane-1-carboxylic acid
CID 115444679
1-[[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446641
1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442992
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
1-[[[[2-(diethylamino)-2-oxoethyl]-methylcarbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446540
1-[[[ethyl(phenyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 113312370
1-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446533

Frequently Asked Questions

What is the IUPAC name of 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid (CID 115451479) is 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is CCN(CC(F)(F)F)C(=O)NCC1(C(=O)O)CC1.
What is the InChIKey of 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is QPRQHVJKNMOJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O3/c1-2-15(6-10(11,12)13)8(18)14-5-9(3-4-9)7(16)17/h2-6H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid?
1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 268.23 g/mol, XLogP of 1.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 115451479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).