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

C12H18F3NO4 — CID 60951970

IUPAC1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H18F3NO4/c13-12(14,15)8-16(5-6-17)9(18)7-11(10(19)20)3-1-2-4-11/h17H,1-8H2,(H,19,20)
InChIKeySRBOOLUGAYDCTI-UHFFFAOYSA-N
MW297.27 g/mol
LogP1.40
Rot. Bonds6

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

1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (PubChem CID 60951970) has the molecular formula C12H18F3NO4 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
PubChem CID60951970
Molecular FormulaC12H18F3NO4
Molecular Weight297.27 g/mol
Exact Mass297.12
IUPAC Name1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)N(CCO)CC(F)(F)F
InChIInChI=1S/C12H18F3NO4/c13-12(14,15)8-16(5-6-17)9(18)7-11(10(19)20)3-1-2-4-11/h17H,1-8H2,(H,19,20)
InChIKeySRBOOLUGAYDCTI-UHFFFAOYSA-N
XLogP1.40
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Morpholin-4-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 2474331
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55010975
1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid
CID 60662817
1-[2-[Methyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60891931
1-[2-[Butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60948403
1-[2-Oxo-2-[propyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 60949547
1-[2-Oxo-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentane-1-carboxylic acid
CID 60949570
1-[2-[2-Methylpropyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60950076
2,2-Diethyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-4-oxobutanoic acid
CID 60951404
1-[2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 60951405
2-[2-Hydroxyethyl(2,2,2-trifluoroethyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 60951824
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methyl-4-oxo-2-propan-2-ylbutanoic acid
CID 60951969

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid (CID 60951970) is 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)N(CCO)CC(F)(F)F.
What is the InChIKey of 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
The InChIKey is SRBOOLUGAYDCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO4/c13-12(14,15)8-16(5-6-17)9(18)7-11(10(19)20)3-1-2-4-11/h17H,1-8H2,(H,19,20).
What are the key properties of 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid?
1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid has a molecular weight of 297.27 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 60951970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).