1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

C11H17F3N2O4 — CID 107481926

IUPAC1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-16(4-5-17)9(20)15-6-10(8(18)19)2-1-3-10/h17H,1-7H2,(H,15,20)(H,18,19)
InChIKeyNQEAGWHXPMDQPC-UHFFFAOYSA-N
MW298.26 g/mol
LogP0.81
Rot. Bonds6

About 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid

1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (PubChem CID 107481926) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
PubChem CID107481926
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
SMILESO=C(NCC1(C(=O)O)CCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-16(4-5-17)9(20)15-6-10(8(18)19)2-1-3-10/h17H,1-7H2,(H,15,20)(H,18,19)
InChIKeyNQEAGWHXPMDQPC-UHFFFAOYSA-N
XLogP0.81
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

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Related Compounds

1-[[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115451479
1-[[[butyl(2-hydroxyethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115446533
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 115448195
1-[[[ethyl(2-hydroxyethyl)carbamoyl]amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115442992
1-[(4,4,4-trifluorobutanoylamino)methyl]cyclobutane-1-carboxylic acid
CID 115445234
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 115443914
2-hydroxy-3-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-methylpropanoic acid
CID 107482036
1-[[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 115445840
4-methyl-1-[[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115442989
1-[(diethylcarbamoylamino)methyl]cyclopropane-1-carboxylic acid
CID 115450090
1-[[[ethyl(methyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445339
2-[2-[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethoxy]acetic acid
CID 107481876

Frequently Asked Questions

What is the IUPAC name of 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid (CID 107481926) is 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is O=C(NCC1(C(=O)O)CCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
The InChIKey is NQEAGWHXPMDQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c12-11(13,14)7-16(4-5-17)9(20)15-6-10(8(18)19)2-1-3-10/h17H,1-7H2,(H,15,20)(H,18,19).
What are the key properties of 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid?
1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid has a molecular weight of 298.26 g/mol, XLogP of 0.81, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[2-hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 107481926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).