5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid

C12H25NO2 — CID 65254735

IUPAC5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
SMILESCCC(C)N(C)CCCC(C)(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-6-10(2)13(5)9-7-8-12(3,4)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyYMARNXYQVIBFPH-UHFFFAOYSA-N
MW215.34 g/mol
LogP2.61
Rot. Bonds7

About 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid

5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid (PubChem CID 65254735) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid.

Molecular Properties

Compound Name5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
PubChem CID65254735
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid
SMILESCCC(C)N(C)CCCC(C)(C)C(=O)O
InChIInChI=1S/C12H25NO2/c1-6-10(2)13(5)9-7-8-12(3,4)11(14)15/h10H,6-9H2,1-5H3,(H,14,15)
InChIKeyYMARNXYQVIBFPH-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid?
The IUPAC name of 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid (CID 65254735) is 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid.
What is the SMILES notation for 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid?
The canonical SMILES for 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid is CCC(C)N(C)CCCC(C)(C)C(=O)O.
What is the InChIKey of 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid?
The InChIKey is YMARNXYQVIBFPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-6-10(2)13(5)9-7-8-12(3,4)11(14)15/h10H,6-9H2,1-5H3,(H,14,15).
What are the key properties of 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid?
5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid has a molecular weight of 215.34 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[butan-2-yl(methyl)amino]-2,2-dimethylpentanoic acid is sourced from PubChem (CID 65254735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).