2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid

C11H17F3N2O3 — CID 64700073

IUPAC2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C11H17F3N2O3/c1-16(7-11(12,13)14)9(19)15-10(6-8(17)18)4-2-3-5-10/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyWZTAOYRUPQWKAS-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.98
Rot. Bonds4

About 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid

2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid (PubChem CID 64700073) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
PubChem CID64700073
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid
SMILESCN(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCCC1
InChIInChI=1S/C11H17F3N2O3/c1-16(7-11(12,13)14)9(19)15-10(6-8(17)18)4-2-3-5-10/h2-7H2,1H3,(H,15,19)(H,17,18)
InChIKeyWZTAOYRUPQWKAS-UHFFFAOYSA-N
XLogP1.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-[[cyclopropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64702597
2-[1-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]cyclobutyl]acetic acid
CID 79846292
2-[1-[[2-methoxypropyl(methyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 112754573
2-[1-(diethylcarbamoylamino)cyclopentyl]acetic acid
CID 64701206
2-[1-[[(3-methoxy-2-methyl-3-oxopropyl)-methylcarbamoyl]amino]cyclopentyl]acetic acid
CID 64700888
2-[1-(2,2,2-trifluoroethoxycarbonylamino)cyclohexyl]acetic acid
CID 64673107
2-[1-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]cyclohexyl]acetic acid
CID 64701474
2-[1-[[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 79385482
2-[1-[[methyl(oxan-4-ylmethyl)carbamoyl]amino]cyclopentyl]acetic acid
CID 64699572
2-[1-[(2,2,2-trifluoroacetyl)amino]cyclohexyl]acetic acid
CID 64672154
2-[1-(dipropylcarbamoylamino)cyclopentyl]acetic acid
CID 64702576
2-[1-[[cyclohexyl(methyl)carbamoyl]amino]cyclobutyl]acetic acid
CID 79846087

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid (CID 64700073) is 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid is CN(CC(F)(F)F)C(=O)NC1(CC(=O)O)CCCC1.
What is the InChIKey of 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid?
The InChIKey is WZTAOYRUPQWKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-16(7-11(12,13)14)9(19)15-10(6-8(17)18)4-2-3-5-10/h2-7H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid?
2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid has a molecular weight of 282.26 g/mol, XLogP of 1.98, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclopentyl]acetic acid is sourced from PubChem (CID 64700073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).