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

C11H21F3N2O2 — CID 64711201

IUPAC2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
SMILESCC(C)N(CC(F)(F)F)C(C)CC(C)(N)C(=O)O
InChIInChI=1S/C11H21F3N2O2/c1-7(2)16(6-11(12,13)14)8(3)5-10(4,15)9(17)18/h7-8H,5-6,15H2,1-4H3,(H,17,18)
InChIKeyCNVQTFRCMIWJJA-UHFFFAOYSA-N
MW270.30 g/mol
LogP1.84
Rot. Bonds6

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

2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid (PubChem CID 64711201) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
PubChem CID64711201
Molecular FormulaC11H21F3N2O2
Molecular Weight270.30 g/mol
Exact Mass270.16
IUPAC Name2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
SMILESCC(C)N(CC(F)(F)F)C(C)CC(C)(N)C(=O)O
InChIInChI=1S/C11H21F3N2O2/c1-7(2)16(6-11(12,13)14)8(3)5-10(4,15)9(17)18/h7-8H,5-6,15H2,1-4H3,(H,17,18)
InChIKeyCNVQTFRCMIWJJA-UHFFFAOYSA-N
XLogP1.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The IUPAC name of 2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid (CID 64711201) is 2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid.
What is the SMILES notation for 2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The canonical SMILES for 2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid is CC(C)N(CC(F)(F)F)C(C)CC(C)(N)C(=O)O.
What is the InChIKey of 2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The InChIKey is CNVQTFRCMIWJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-7(2)16(6-11(12,13)14)8(3)5-10(4,15)9(17)18/h7-8H,5-6,15H2,1-4H3,(H,17,18).
What are the key properties of 2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid has a molecular weight of 270.30 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid is sourced from PubChem (CID 64711201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).