methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate

C11H22N2O3 — CID 106276355

IUPACmethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC(C)(C)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-7(9(14)16-5)8(2)13-6-11(3,4)10(12)15/h7-8,13H,6H2,1-5H3,(H2,12,15)
InChIKeyCDXGLXZGWFUBKG-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.29
Rot. Bonds6

About methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate

methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate (PubChem CID 106276355) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate.

Molecular Properties

Compound Namemethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
PubChem CID106276355
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate
SMILESCOC(=O)C(C)C(C)NCC(C)(C)C(N)=O
InChIInChI=1S/C11H22N2O3/c1-7(9(14)16-5)8(2)13-6-11(3,4)10(12)15/h7-8,13H,6H2,1-5H3,(H2,12,15)
InChIKeyCDXGLXZGWFUBKG-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-methylbutanoate
CID 79397549
methyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-methylbutanoate
CID 106147126
methyl 2-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-cyclopropylacetate
CID 106278452
methyl (2S)-2-[(3-amino-2-bromo-2-methyl-3-oxopropyl)amino]propanoate
CID 87814645
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2-methylbutanoate
CID 79397828
3-[(1-amino-1-oxobutan-2-yl)amino]-2,2-dimethylpropanamide
CID 106276342
methyl 2-methyl-3-[(2-methylcyclohexyl)methylamino]butanoate
CID 79391970
methyl 3-[(1-hydroxycyclopentyl)methylamino]-2-methylbutanoate
CID 79398493
methyl 3-[2-(dimethylamino)propylamino]-2-methylbutanoate
CID 79397662
3-hydrazinyl-2,2-dimethylpropanamide
CID 134242033
2,2-dimethyl-3-(1-phenylethylamino)propanamide
CID 115667918
methyl 2-methyl-3-(octylamino)butanoate
CID 115567614

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate?
The IUPAC name of methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate (CID 106276355) is methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate.
What is the SMILES notation for methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate?
The canonical SMILES for methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate is COC(=O)C(C)C(C)NCC(C)(C)C(N)=O.
What is the InChIKey of methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate?
The InChIKey is CDXGLXZGWFUBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-7(9(14)16-5)8(2)13-6-11(3,4)10(12)15/h7-8,13H,6H2,1-5H3,(H2,12,15).
What are the key properties of methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate?
methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate has a molecular weight of 230.31 g/mol, XLogP of 0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-amino-2,2-dimethyl-3-oxopropyl)amino]-2-methylbutanoate is sourced from PubChem (CID 106276355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).