methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate

C11H22N2O3 — CID 106096239

IUPACmethyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(C)(C)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-10(2,9(15)16-5)7-13-11(3,4)6-8(12)14/h13H,6-7H2,1-5H3,(H2,12,14)
InChIKeyONGCNUNKIRVNQY-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.43
Rot. Bonds6

About methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate

methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate (PubChem CID 106096239) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate
PubChem CID106096239
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate
SMILESCOC(=O)C(C)(C)CNC(C)(C)CC(N)=O
InChIInChI=1S/C11H22N2O3/c1-10(2,9(15)16-5)7-13-11(3,4)6-8(12)14/h13H,6-7H2,1-5H3,(H2,12,14)
InChIKeyONGCNUNKIRVNQY-UHFFFAOYSA-N
XLogP0.43
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-hydroxy-3-methoxypropyl)amino]-3-methylbutanamide
CID 104580249
3-[[2-(hydroxymethyl)-2-methylbutyl]amino]-3-methylbutanamide
CID 106095865
3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
methyl 2,2-dimethyl-3-[(2-methylpropan-2-yl)oxyamino]propanoate
CID 82724655
3-[(2,3-diamino-3-oxopropyl)amino]-3-methylbutanamide
CID 106097393
methyl 3-[(2-amino-2-oxoethyl)-methylamino]-2,2-dimethylpropanoate
CID 79624848
3-[[(E)-3-chloroprop-2-enyl]amino]-3-methylbutanamide
CID 104580489
3-methyl-3-(3-methylbut-3-enylamino)butanamide
CID 104926886
methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
butyl 2-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]acetate
CID 104580235
methyl 3-[(1-aminocyclopropanecarbonyl)amino]-2,2-dimethylpropanoate;hydrochloride
CID 119789332
3-methyl-3-(3-methylsulfanylpropylamino)butanamide
CID 104580425

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate (CID 106096239) is methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate is COC(=O)C(C)(C)CNC(C)(C)CC(N)=O.
What is the InChIKey of methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate?
The InChIKey is ONGCNUNKIRVNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-10(2,9(15)16-5)7-13-11(3,4)6-8(12)14/h13H,6-7H2,1-5H3,(H2,12,14).
What are the key properties of methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate?
methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate has a molecular weight of 230.31 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 106096239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).