1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

C14H22F3NO3 — CID 60948403

IUPAC1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H22F3NO3/c1-2-3-8-18(10-14(15,16)17)11(19)9-13(12(20)21)6-4-5-7-13/h2-10H2,1H3,(H,20,21)
InChIKeyAVFMJPUMTNVLME-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.21
Rot. Bonds7

About 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid

1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 60948403) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID60948403
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESCCCCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1
InChIInChI=1S/C14H22F3NO3/c1-2-3-8-18(10-14(15,16)17)11(19)9-13(12(20)21)6-4-5-7-13/h2-10H2,1H3,(H,20,21)
InChIKeyAVFMJPUMTNVLME-UHFFFAOYSA-N
XLogP3.21
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butyl-2-[1-(methylamino)cyclohexyl]-N-(2,2,2-trifluoroethyl)acetamide
CID 65242064
1-[2-[methyl(pentyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437254
1-[2-[butan-2-yl(butyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60662129
1-[2-[methyl(propyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43437249
N-butyl-2-chloro-N-(2,2,2-trifluoroethyl)acetamide
CID 60809342
N-butyl-3-propyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 63131888
1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 113312851
N-butyl-3,3-dimethyl-N-(2,2,2-trifluoroethyl)butanamide
CID 78866720
N-butyl-4-chloro-N-(2,2,2-trifluoroethyl)butanamide
CID 63307840
1-[2-[ethyl(2-ethylbutyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43588235
2-(1-aminocyclobutyl)-N-(3-ethoxypropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79854442
1-[[butyl(methyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 62271739

Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 60948403) is 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is CCCCN(CC(F)(F)F)C(=O)CC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is AVFMJPUMTNVLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-2-3-8-18(10-14(15,16)17)11(19)9-13(12(20)21)6-4-5-7-13/h2-10H2,1H3,(H,20,21).
What are the key properties of 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 309.33 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60948403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).