4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

C12H17F3N2O4 — CID 66248987

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H17F3N2O4/c1-11(9(18)19)6-21-4-8(11)16-10(20)17(7-2-3-7)5-12(13,14)15/h7-8H,2-6H2,1H3,(H,16,20)(H,18,19)
InChIKeyCFZZNZSJXPIYQE-UHFFFAOYSA-N
MW310.27 g/mol
LogP1.21
Rot. Bonds4

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid

4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66248987) has the molecular formula C12H17F3N2O4 and a molecular weight of 310.27 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66248987
Molecular FormulaC12H17F3N2O4
Molecular Weight310.27 g/mol
Exact Mass310.11
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H17F3N2O4/c1-11(9(18)19)6-21-4-8(11)16-10(20)17(7-2-3-7)5-12(13,14)15/h7-8H,2-6H2,1H3,(H,16,20)(H,18,19)
InChIKeyCFZZNZSJXPIYQE-UHFFFAOYSA-N
XLogP1.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Methoxypropan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709793
1-(1-Ethoxypropan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63709820
1-(1-Methoxybutan-2-ylcarbamoyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 64403192
3-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891045
3-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891660
3-[[Cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64891855
3-[[Propyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892050
3-[[Propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 64892051
3-[[Methyl(3,3,3-trifluoropropyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 65536776
4-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66238551
4-[[Ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]oxolane-3-carboxylic acid
CID 66239168
4-(2,2,2-Trifluoroethylcarbamoylamino)oxolane-3-carboxylic acid
CID 66239341

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid (CID 66248987) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is CFZZNZSJXPIYQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O4/c1-11(9(18)19)6-21-4-8(11)16-10(20)17(7-2-3-7)5-12(13,14)15/h7-8H,2-6H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid?
4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 310.27 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)carbamoyl]amino]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).