2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid

C12H23F3N2O2 — CID 64711396

IUPAC2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
SMILESCNC(C)(CC(C)N(CC(F)(F)F)C(C)C)C(=O)O
InChIInChI=1S/C12H23F3N2O2/c1-8(2)17(7-12(13,14)15)9(3)6-11(4,16-5)10(18)19/h8-9,16H,6-7H2,1-5H3,(H,18,19)
InChIKeyPJALPHMDPIIUCH-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.10
Rot. Bonds7

About 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid

2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid (PubChem CID 64711396) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
PubChem CID64711396
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
SMILESCNC(C)(CC(C)N(CC(F)(F)F)C(C)C)C(=O)O
InChIInChI=1S/C12H23F3N2O2/c1-8(2)17(7-12(13,14)15)9(3)6-11(4,16-5)10(18)19/h8-9,16H,6-7H2,1-5H3,(H,18,19)
InChIKeyPJALPHMDPIIUCH-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanamide
CID 64712176
2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
CID 64711201
2-methyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)carbamoyl]amino]butanoic acid
CID 79801521
methyl 2-methyl-2-(methylamino)-4-[methyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64711376
2-methyl-2-(methylamino)-4-[methyl(2-methylbutyl)amino]pentanoic acid
CID 64711907
4-[cyclopropyl(ethyl)amino]-2-methyl-2-(methylamino)pentanoic acid
CID 64725859
2-methyl-4-[pentyl(propan-2-yl)amino]-2-(propylamino)pentanoic acid
CID 64710483
4-[butan-2-yl(ethyl)amino]-2-methyl-2-(propylamino)pentanoic acid
CID 64726647
ethyl 2-methyl-2-(methylamino)-4-[propan-2-yl(propyl)amino]pentanoate
CID 64725654
4-(2,2-difluoroethoxy)-2-methyl-2-(methylamino)pentanoic acid
CID 82007441
ethyl 2-methyl-2-(methylamino)-4-[propyl(2,2,2-trifluoroethyl)amino]pentanoate
CID 64710237
1-N-pentan-3-yl-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62568842

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid (CID 64711396) is 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid is CNC(C)(CC(C)N(CC(F)(F)F)C(C)C)C(=O)O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The InChIKey is PJALPHMDPIIUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-8(2)17(7-12(13,14)15)9(3)6-11(4,16-5)10(18)19/h8-9,16H,6-7H2,1-5H3,(H,18,19).
What are the key properties of 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid is sourced from PubChem (CID 64711396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).