ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate

C13H24F3NO3 — CID 64707611

IUPACethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCC(F)(F)F)NC(C)C
InChIInChI=1S/C13H24F3NO3/c1-6-19-11(18)12(5,17-9(2)3)7-10(4)20-8-13(14,15)16/h9-10,17H,6-8H2,1-5H3
InChIKeyLAMPABJWOVZEID-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.66
Rot. Bonds8

About ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate

ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate (PubChem CID 64707611) has the molecular formula C13H24F3NO3 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate.

Molecular Properties

Compound Nameethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
PubChem CID64707611
Molecular FormulaC13H24F3NO3
Molecular Weight299.33 g/mol
Exact Mass299.17
IUPAC Nameethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
SMILESCCOC(=O)C(C)(CC(C)OCC(F)(F)F)NC(C)C
InChIInChI=1S/C13H24F3NO3/c1-6-19-11(18)12(5,17-9(2)3)7-10(4)20-8-13(14,15)16/h9-10,17H,6-8H2,1-5H3
InChIKeyLAMPABJWOVZEID-UHFFFAOYSA-N
XLogP2.66
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid
CID 64705959
ethyl 4-(2-cyclopropylethoxy)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 106204438
ethyl 2-methyl-3-pentan-2-yloxy-2-(propan-2-ylamino)propanoate
CID 102983984
ethyl 2-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710599
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64707210
ethyl 4-ethoxy-2-methyl-2-(methylamino)pentanoate
CID 64706802
ethyl 2-methyl-2-(methylamino)-4-(4,4,4-trifluorobutoxy)pentanoate
CID 82792603
ethyl 2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoate
CID 82962855
ethyl 2-methyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentanoate
CID 66274410
ethyl 4-(2-hydroxyethylsulfanyl)-2-methyl-2-(propan-2-ylamino)pentanoate
CID 64712181
ethyl 2-methyl-4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)pentanoate
CID 64725967
ethyl 2-methyl-4-[methyl(3-methylbutyl)amino]-2-(propan-2-ylamino)pentanoate
CID 64710729

Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate?
The IUPAC name of ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate (CID 64707611) is ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate.
What is the SMILES notation for ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate?
The canonical SMILES for ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate is CCOC(=O)C(C)(CC(C)OCC(F)(F)F)NC(C)C.
What is the InChIKey of ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate?
The InChIKey is LAMPABJWOVZEID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO3/c1-6-19-11(18)12(5,17-9(2)3)7-10(4)20-8-13(14,15)16/h9-10,17H,6-8H2,1-5H3.
What are the key properties of ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate?
ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate has a molecular weight of 299.33 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate is sourced from PubChem (CID 64707611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).