4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid

C11H21NO3 — CID 146213852

IUPAC4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid
SMILESCCC(C)(CC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-6-11(5,9(14)15)7-8(13)12-10(2,3)4/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyXHQMTCUUOIYBGO-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.79
Rot. Bonds4

About 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid

4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid (PubChem CID 146213852) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid
PubChem CID146213852
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid
SMILESCCC(C)(CC(=O)NC(C)(C)C)C(=O)O
InChIInChI=1S/C11H21NO3/c1-6-11(5,9(14)15)7-8(13)12-10(2,3)4/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyXHQMTCUUOIYBGO-UHFFFAOYSA-N
XLogP1.79
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

2-(iodomethyl)-2-methylbutanoic acid
CID 155784783
3-(tert-butylamino)-3-oxopropanoic acid
CID 23009238
(2S)-2-(hydroxymethyl)-2-methylbutanoic acid
CID 124539750
2,2-dimethyl-4-(2-methylbutan-2-ylamino)-4-oxobutanoic acid
CID 65297658
5-chloro-2-ethyl-2,4-dimethylpent-4-enoic acid
CID 106439379
N-[2-(tert-butylamino)-2-oxoethyl]-N-methylbutanamide
CID 60717641
N,N'-ditert-butylhexanediamide
CID 3593481
2-methyl-2-(trimethylsilylmethyl)butanoic acid
CID 106322957
2-[(dihydroxyamino)methyl]-2-methylbutanoic acid
CID 133065164
N-tert-butyl-2-ethyl-2-methylhexanamide
CID 146411812
2-ethyl-2-methylhex-4-enoic acid
CID 123449987
1,1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-docosamethyltritetracontane-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41-henicosacarboxylic acid
CID 118067410

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid?
The IUPAC name of 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid (CID 146213852) is 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid.
What is the SMILES notation for 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid?
The canonical SMILES for 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid is CCC(C)(CC(=O)NC(C)(C)C)C(=O)O.
What is the InChIKey of 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid?
The InChIKey is XHQMTCUUOIYBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-6-11(5,9(14)15)7-8(13)12-10(2,3)4/h6-7H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid?
4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid has a molecular weight of 215.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-2-ethyl-2-methyl-4-oxobutanoic acid is sourced from PubChem (CID 146213852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).