2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid

C14H27F3N2O2 — CID 106806340

IUPAC2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCN(C)CCC(F)(F)F)(NC(C)C)C(=O)O
InChIInChI=1S/C14H27F3N2O2/c1-5-13(12(20)21,18-11(2)3)7-6-9-19(4)10-8-14(15,16)17/h11,18H,5-10H2,1-4H3,(H,20,21)
InChIKeyVOEAHDXCUFYUCL-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.88
Rot. Bonds10

About 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid

2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid (PubChem CID 106806340) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid
PubChem CID106806340
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid
SMILESCCC(CCCN(C)CCC(F)(F)F)(NC(C)C)C(=O)O
InChIInChI=1S/C14H27F3N2O2/c1-5-13(12(20)21,18-11(2)3)7-6-9-19(4)10-8-14(15,16)17/h11,18H,5-10H2,1-4H3,(H,20,21)
InChIKeyVOEAHDXCUFYUCL-UHFFFAOYSA-N
XLogP2.88
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid (CID 106806340) is 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid is CCC(CCCN(C)CCC(F)(F)F)(NC(C)C)C(=O)O.
What is the InChIKey of 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is VOEAHDXCUFYUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-5-13(12(20)21,18-11(2)3)7-6-9-19(4)10-8-14(15,16)17/h11,18H,5-10H2,1-4H3,(H,20,21).
What are the key properties of 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid?
2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid has a molecular weight of 312.38 g/mol, XLogP of 2.88, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 106806340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).