2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid

C11H20F3NO3 — CID 64705959

IUPAC2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCC(C)NC(C)(CC(C)OCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-7(2)15-10(4,9(16)17)5-8(3)18-6-11(12,13)14/h7-8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyIJWJRCDNBMXIBS-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.19
Rot. Bonds7

About 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid

2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid (PubChem CID 64705959) has the molecular formula C11H20F3NO3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid
PubChem CID64705959
Molecular FormulaC11H20F3NO3
Molecular Weight271.28 g/mol
Exact Mass271.14
IUPAC Name2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid
SMILESCC(C)NC(C)(CC(C)OCC(F)(F)F)C(=O)O
InChIInChI=1S/C11H20F3NO3/c1-7(2)15-10(4,9(16)17)5-8(3)18-6-11(12,13)14/h7-8,15H,5-6H2,1-4H3,(H,16,17)
InChIKeyIJWJRCDNBMXIBS-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoate
CID 64707611
4-butoxy-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64706677
4-ethoxy-2-methyl-2-(propan-2-ylamino)pentanamide
CID 64707210
2-(ethylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82958128
2-methyl-5-(2,2,3,3,3-pentafluoropropoxy)-2-(propan-2-ylamino)pentanoic acid
CID 103725386
2-methyl-2-(propylamino)-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82959471
4-[ethyl(methyl)amino]-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64727241
2-methyl-2-(propan-2-ylamino)-6-(4,4,4-trifluorobutoxy)hexanoic acid
CID 82783636
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 82007441
4-(2,3-difluorophenoxy)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64718485
2-(cyclopropylamino)-2-methyl-4-(3,3,3-trifluoropropoxy)pentanoic acid
CID 82956944
2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]-2-(propan-2-ylamino)pentanoic acid
CID 81074022

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid?
The IUPAC name of 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid (CID 64705959) is 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid.
What is the SMILES notation for 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid?
The canonical SMILES for 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid is CC(C)NC(C)(CC(C)OCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid?
The InChIKey is IJWJRCDNBMXIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO3/c1-7(2)15-10(4,9(16)17)5-8(3)18-6-11(12,13)14/h7-8,15H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid?
2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid has a molecular weight of 271.28 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(propan-2-ylamino)-4-(2,2,2-trifluoroethoxy)pentanoic acid is sourced from PubChem (CID 64705959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).