2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid

C12H25NO2 — CID 114989107

IUPAC2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
SMILESCCCC(C)N(C)C(C)(CCC)C(=O)O
InChIInChI=1S/C12H25NO2/c1-6-8-10(3)13(5)12(4,9-7-2)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyFLFDXNXUODAEHA-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.75
Rot. Bonds7

About 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid

2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid (PubChem CID 114989107) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
PubChem CID114989107
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid
SMILESCCCC(C)N(C)C(C)(CCC)C(=O)O
InChIInChI=1S/C12H25NO2/c1-6-8-10(3)13(5)12(4,9-7-2)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyFLFDXNXUODAEHA-UHFFFAOYSA-N
XLogP2.75
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid (CID 114989107) is 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid is CCCC(C)N(C)C(C)(CCC)C(=O)O.
What is the InChIKey of 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid?
The InChIKey is FLFDXNXUODAEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-8-10(3)13(5)12(4,9-7-2)11(14)15/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid?
2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(pentan-2-yl)amino]pentanoic acid is sourced from PubChem (CID 114989107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).