2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid

C14H27NO3 — CID 63981019

IUPAC2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCC(C)(C)N(C)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H27NO3/c1-8-13(4,5)15(7)11(16)9-14(6,10(2)3)12(17)18/h10H,8-9H2,1-7H3,(H,17,18)
InChIKeyRGWFYGRELWBUQO-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.77
Rot. Bonds6

About 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid

2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid (PubChem CID 63981019) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid.

Molecular Properties

Compound Name2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid
PubChem CID63981019
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid
SMILESCCC(C)(C)N(C)C(=O)CC(C)(C(=O)O)C(C)C
InChIInChI=1S/C14H27NO3/c1-8-13(4,5)15(7)11(16)9-14(6,10(2)3)12(17)18/h10H,8-9H2,1-7H3,(H,17,18)
InChIKeyRGWFYGRELWBUQO-UHFFFAOYSA-N
XLogP2.77
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
The IUPAC name of 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid (CID 63981019) is 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid.
What is the SMILES notation for 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
The canonical SMILES for 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid is CCC(C)(C)N(C)C(=O)CC(C)(C(=O)O)C(C)C.
What is the InChIKey of 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
The InChIKey is RGWFYGRELWBUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-8-13(4,5)15(7)11(16)9-14(6,10(2)3)12(17)18/h10H,8-9H2,1-7H3,(H,17,18).
What are the key properties of 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid?
2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[methyl(2-methylbutan-2-yl)amino]-4-oxo-2-propan-2-ylbutanoic acid is sourced from PubChem (CID 63981019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).