4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid

C16H31NO3 — CID 130344249

IUPAC4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid
SMILESCCC(C)(C)CCN(C(=O)CCC(=O)O)C(C)(C)CC
InChIInChI=1S/C16H31NO3/c1-7-15(3,4)11-12-17(16(5,6)8-2)13(18)9-10-14(19)20/h7-12H2,1-6H3,(H,19,20)
InChIKeyZAALGBHOINEJGA-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.69
Rot. Bonds9

About 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid

4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid (PubChem CID 130344249) has the molecular formula C16H31NO3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid
PubChem CID130344249
Molecular FormulaC16H31NO3
Molecular Weight285.43 g/mol
Exact Mass285.23
IUPAC Name4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid
SMILESCCC(C)(C)CCN(C(=O)CCC(=O)O)C(C)(C)CC
InChIInChI=1S/C16H31NO3/c1-7-15(3,4)11-12-17(16(5,6)8-2)13(18)9-10-14(19)20/h7-12H2,1-6H3,(H,19,20)
InChIKeyZAALGBHOINEJGA-UHFFFAOYSA-N
XLogP3.69
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid?
The IUPAC name of 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid (CID 130344249) is 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid is CCC(C)(C)CCN(C(=O)CCC(=O)O)C(C)(C)CC.
What is the InChIKey of 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid?
The InChIKey is ZAALGBHOINEJGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO3/c1-7-15(3,4)11-12-17(16(5,6)8-2)13(18)9-10-14(19)20/h7-12H2,1-6H3,(H,19,20).
What are the key properties of 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid?
4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid has a molecular weight of 285.43 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3-dimethylpentyl(2-methylbutan-2-yl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 130344249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).