2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid

C11H21NO3 — CID 65297658

IUPAC2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid
SMILESCCC(C)(C)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-6-11(4,5)12-8(13)7-10(2,3)9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyRQWFYVDSWBVLFM-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds5

About 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid

2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid (PubChem CID 65297658) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid
PubChem CID65297658
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid
SMILESCCC(C)(C)NC(=O)CC(C)(C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-6-11(4,5)12-8(13)7-10(2,3)9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyRQWFYVDSWBVLFM-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-methylbutan-2-ylamino)-3-oxopropanoic acid
CID 62230049
2-hydroxy-N-(2-methylbutan-2-yl)acetamide
CID 43558880
2,2-diethyl-4-[(1-methoxy-2-methylpropan-2-yl)amino]-4-oxobutanoic acid
CID 113470258
2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]acetic acid
CID 43442688
4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid
CID 146213852
3-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 87908743
4-hydroxy-N-(2-methylbutan-2-yl)butanamide
CID 79204830
2,2-dimethylbutanedioic acid;hydrochloride
CID 87625816
2,2-dimethylbutanoic acid;methane
CID 159782886
ethane;N-(2-methylbutan-2-yl)acetamide
CID 142252022
2-(2,2-dimethylhydrazinyl)-N-(2-methylbutan-2-yl)acetamide
CID 83015090
N-(2-methylbutan-2-yl)-2-[4-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 30989737

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid (CID 65297658) is 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid is CCC(C)(C)NC(=O)CC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid?
The InChIKey is RQWFYVDSWBVLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-11(4,5)12-8(13)7-10(2,3)9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid?
2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid is sourced from PubChem (CID 65297658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).