1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid

C11H16F3NO3 — CID 63225906

IUPAC1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)5-6-15-8(16)7-10(9(17)18)3-1-2-4-10/h1-7H2,(H,15,16)(H,17,18)
InChIKeyHLISVKNVMGCBCE-UHFFFAOYSA-N
MW267.25 g/mol
LogP2.09
Rot. Bonds5

About 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid

1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid (PubChem CID 63225906) has the molecular formula C11H16F3NO3 and a molecular weight of 267.25 g/mol. Its IUPAC name is 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
PubChem CID63225906
Molecular FormulaC11H16F3NO3
Molecular Weight267.25 g/mol
Exact Mass267.11
IUPAC Name1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid
SMILESO=C(CC1(C(=O)O)CCCC1)NCCC(F)(F)F
InChIInChI=1S/C11H16F3NO3/c12-11(13,14)5-6-15-8(16)7-10(9(17)18)3-1-2-4-10/h1-7H2,(H,15,16)(H,17,18)
InChIKeyHLISVKNVMGCBCE-UHFFFAOYSA-N
XLogP2.09
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-((Cyclopropylcarbamoyl)methyl)cyclopentane-1-carboxylic acid
CID 4962582
1-{[(Propan-2-yl)carbamoyl]methyl}cyclopentane-1-carboxylic acid
CID 2474304
2-Methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoate
CID 20979448
2-Methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]hexanoic acid
CID 20979449
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentane-1-carboxylic acid
CID 43396540
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cycloheptane-1-carboxylic acid
CID 43529727
2,2-Diethyl-4-oxo-4-(2,2,2-trifluoroethylamino)butanoic acid
CID 43529729
1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclohexane-1-carboxylic acid
CID 43529730
1-[2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 55010975
2-[1-[2-Oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentyl]acetic acid
CID 55175329
1-[2-Oxo-2-[3-(trifluoromethyl)piperidin-1-yl]ethyl]cyclopentane-1-carboxylic acid
CID 60662817
2-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]cyclopentyl]acetic acid
CID 60662964

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid (CID 63225906) is 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid is O=C(CC1(C(=O)O)CCCC1)NCCC(F)(F)F.
What is the InChIKey of 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid?
The InChIKey is HLISVKNVMGCBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3/c12-11(13,14)5-6-15-8(16)7-10(9(17)18)3-1-2-4-10/h1-7H2,(H,15,16)(H,17,18).
What are the key properties of 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid?
1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid has a molecular weight of 267.25 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(3,3,3-trifluoropropylamino)ethyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 63225906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).