5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid

C10H14F3NO3 — CID 55011120

IUPAC5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)6-14(7-4-5-7)8(15)2-1-3-9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyAYTXATHUBLQKSJ-UHFFFAOYSA-N
MW253.22 g/mol
LogP1.79
Rot. Bonds6

About 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid

5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (PubChem CID 55011120) has the molecular formula C10H14F3NO3 and a molecular weight of 253.22 g/mol. Its IUPAC name is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
PubChem CID55011120
Molecular FormulaC10H14F3NO3
Molecular Weight253.22 g/mol
Exact Mass253.09
IUPAC Name5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)N(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H14F3NO3/c11-10(12,13)6-14(7-4-5-7)8(15)2-1-3-9(16)17/h7H,1-6H2,(H,16,17)
InChIKeyAYTXATHUBLQKSJ-UHFFFAOYSA-N
XLogP1.79
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid (CID 55011120) is 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is O=C(O)CCCC(=O)N(CC(F)(F)F)C1CC1.
What is the InChIKey of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
The InChIKey is AYTXATHUBLQKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3/c11-10(12,13)6-14(7-4-5-7)8(15)2-1-3-9(16)17/h7H,1-6H2,(H,16,17).
What are the key properties of 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid?
5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid has a molecular weight of 253.22 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclopropyl(2,2,2-trifluoroethyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 55011120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).