2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid

C12H23NO3 — CID 103495923

IUPAC2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid
SMILESCCC(C)CN(C)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-6-8(2)7-13(5)11(14)9(3)10(4)12(15)16/h8-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyBZEJISQJBQFZFC-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.85
Rot. Bonds6

About 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid

2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid (PubChem CID 103495923) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid
PubChem CID103495923
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid
SMILESCCC(C)CN(C)C(=O)C(C)C(C)C(=O)O
InChIInChI=1S/C12H23NO3/c1-6-8(2)7-13(5)11(14)9(3)10(4)12(15)16/h8-10H,6-7H2,1-5H3,(H,15,16)
InChIKeyBZEJISQJBQFZFC-UHFFFAOYSA-N
XLogP1.85
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(2-methylbutyl)acetamide
CID 20650079
N-methyl-N-(2-methylbutyl)propanamide
CID 20674100
N-methyl-N-(2-methylbutyl)butanamide
CID 21263621
4-[butan-2-yl(ethyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495920
2-amino-N-methyl-N-(2-methylbutyl)hexanamide
CID 60854026
(2S)-3-methyl-2-[[methyl(2-methylbutyl)carbamoyl]amino]pentanoic acid
CID 61199113
4-(dipentylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497775
2,3-dimethyl-4-[methyl(propan-2-yl)amino]-4-oxobutanoic acid
CID 103495830
4-[ethyl(propan-2-yl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103495906
4-[2-methoxyethyl(methyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497960
2-ethoxy-N-methyl-N-(2-methylbutyl)acetamide
CID 63940982
4-[ethyl(prop-2-enyl)amino]-2,3-dimethyl-4-oxobutanoic acid
CID 103499014

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid?
The IUPAC name of 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid (CID 103495923) is 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid.
What is the SMILES notation for 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid?
The canonical SMILES for 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid is CCC(C)CN(C)C(=O)C(C)C(C)C(=O)O.
What is the InChIKey of 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid?
The InChIKey is BZEJISQJBQFZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-6-8(2)7-13(5)11(14)9(3)10(4)12(15)16/h8-10H,6-7H2,1-5H3,(H,15,16).
What are the key properties of 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid?
2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid has a molecular weight of 229.32 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4-[methyl(2-methylbutyl)amino]-4-oxobutanoic acid is sourced from PubChem (CID 103495923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).