2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid

C14H27F3N2O2 — CID 106805907

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

About 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid

2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid (PubChem CID 106805907) has the molecular formula C14H27F3N2O2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid
PubChem CID106805907
Molecular FormulaC14H27F3N2O2
Molecular Weight312.38 g/mol
Exact Mass312.20
IUPAC Name2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid
SMILESCCN(CCCC(CC)(NC(C)C)C(=O)O)CC(F)(F)F
InChIInChI=1S/C14H27F3N2O2/c1-5-13(12(20)21,18-11(3)4)8-7-9-19(6-2)10-14(15,16)17/h11,18H,5-10H2,1-4H3,(H,20,21)
InChIKeyITIABVXZJVGUKF-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-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid (CID 106805907) is 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid is CCN(CCCC(CC)(NC(C)C)C(=O)O)CC(F)(F)F.
What is the InChIKey of 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid?
The InChIKey is ITIABVXZJVGUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2O2/c1-5-13(12(20)21,18-11(3)4)8-7-9-19(6-2)10-14(15,16)17/h11,18H,5-10H2,1-4H3,(H,20,21).
What are the key properties of 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid?
2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)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-[ethyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoic acid is sourced from PubChem (CID 106805907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).