5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid

C14H22F3NO3 — CID 62935429

IUPAC5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H22F3NO3/c1-9(10-4-5-10)18(8-14(15,16)17)11(19)6-13(2,3)7-12(20)21/h9-10H,4-8H2,1-3H3,(H,20,21)
InChIKeyNDNKHQDTDWVMLW-UHFFFAOYSA-N
MW309.33 g/mol
LogP3.07
Rot. Bonds7

About 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid

5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 62935429) has the molecular formula C14H22F3NO3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
PubChem CID62935429
Molecular FormulaC14H22F3NO3
Molecular Weight309.33 g/mol
Exact Mass309.16
IUPAC Name5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid
SMILESCC(C1CC1)N(CC(F)(F)F)C(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C14H22F3NO3/c1-9(10-4-5-10)18(8-14(15,16)17)11(19)6-13(2,3)7-12(20)21/h9-10H,4-8H2,1-3H3,(H,20,21)
InChIKeyNDNKHQDTDWVMLW-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid (CID 62935429) is 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid is CC(C1CC1)N(CC(F)(F)F)C(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is NDNKHQDTDWVMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3NO3/c1-9(10-4-5-10)18(8-14(15,16)17)11(19)6-13(2,3)7-12(20)21/h9-10H,4-8H2,1-3H3,(H,20,21).
What are the key properties of 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid?
5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 309.33 g/mol, XLogP of 3.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 62935429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).