3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid

C11H21NO3 — CID 115164617

IUPAC3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
SMILESCC(C)CCN(C)C(=O)C(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-8(2)5-6-12(4)11(15)9(3)7-10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyVGAXKBVOEGRTFB-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.60
Rot. Bonds6

About 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid

3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid (PubChem CID 115164617) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
PubChem CID115164617
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid
SMILESCC(C)CCN(C)C(=O)C(C)CC(=O)O
InChIInChI=1S/C11H21NO3/c1-8(2)5-6-12(4)11(15)9(3)7-10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14)
InChIKeyVGAXKBVOEGRTFB-UHFFFAOYSA-N
XLogP1.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N,2-dimethyl-N-(3-methylbutyl)propanamide
CID 62728337
3-methyl-4-[methyl(pentyl)amino]-4-oxobutanoic acid
CID 115164692
3-acetamido-4-[[3-carboxy-1-[[3-carboxy-1-[methyl(3-methylbutyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
CID 118284588
3-methyl-4-[[methyl(3-methylbutyl)carbamoyl]amino]butanoic acid
CID 81068960
(2S)-2-[[methyl(3-methylbutyl)carbamoyl]amino]pentanedioic acid
CID 61429121
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
3-[methyl(3-methylbutyl)amino]pentanoic acid
CID 63074034
(2S)-4-methoxy-2-[[methyl(3-methylbutyl)carbamoyl]amino]-4-oxobutanoic acid
CID 63304857
5-[[methyl(3-methylbutyl)carbamoyl]amino]hexanoic acid
CID 82848330
2-[2-[methyl(3-methylbutyl)amino]-2-oxoethoxy]acetic acid
CID 61327306
3-methyl-4-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-4-oxobutanoic acid
CID 115164653
methyl 3-methyl-2-[methyl(3-methylbutyl)carbamoyl]butanoate
CID 115188069

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid?
The IUPAC name of 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid (CID 115164617) is 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid is CC(C)CCN(C)C(=O)C(C)CC(=O)O.
What is the InChIKey of 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid?
The InChIKey is VGAXKBVOEGRTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-8(2)5-6-12(4)11(15)9(3)7-10(13)14/h8-9H,5-7H2,1-4H3,(H,13,14).
What are the key properties of 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid?
3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[methyl(3-methylbutyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 115164617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).