methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate

C12H25NO3 — CID 79624902

IUPACmethyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate
SMILESCOCC(NCC(C)(C)C(=O)OC)C(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)10(7-15-5)13-8-12(3,4)11(14)16-6/h9-10,13H,7-8H2,1-6H3
InChIKeyUMJYLNKJDLRJML-UHFFFAOYSA-N
MW231.34 g/mol
LogP1.45
Rot. Bonds7

About methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate

methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate (PubChem CID 79624902) has the molecular formula C12H25NO3 and a molecular weight of 231.34 g/mol. Its IUPAC name is methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate.

Molecular Properties

Compound Namemethyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate
PubChem CID79624902
Molecular FormulaC12H25NO3
Molecular Weight231.34 g/mol
Exact Mass231.18
IUPAC Namemethyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate
SMILESCOCC(NCC(C)(C)C(=O)OC)C(C)C
InChIInChI=1S/C12H25NO3/c1-9(2)10(7-15-5)13-8-12(3,4)11(14)16-6/h9-10,13H,7-8H2,1-6H3
InChIKeyUMJYLNKJDLRJML-UHFFFAOYSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate with MolForge

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Related Compounds

2-hydroxy-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanoic acid
CID 104644611
methyl 3-(1-hydroxypropan-2-ylamino)-2,2-dimethylpropanoate
CID 79623523
N-tert-butyl-2-[(1-methoxy-3-methylbutan-2-yl)amino]acetamide
CID 65048909
methyl 2,2-dimethyl-3-(2,3,3-trimethylbutylamino)propanoate
CID 83143662
methyl 2,2-dimethyl-3-(5-methylhexan-2-ylamino)propanoate
CID 79624794
1-(dimethylamino)-3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropan-2-ol
CID 115895816
methyl 3-(2-methoxyethylamino)-2,2-dimethylpropanoate
CID 79629121
2-[(1-methoxy-3-methylbutan-2-yl)amino]-N-(2-methylpropyl)acetamide
CID 65049142
methyl 3-(heptan-2-ylamino)-2,2-dimethylpropanoate
CID 79623539
methyl 3-[(3-hydroxy-2-methylpropyl)amino]-2,2-dimethylpropanoate
CID 79624700
methyl 2-bromo-3-[(1-methoxy-3-methylbutan-2-yl)amino]propanoate
CID 103254031
methyl 2-hydroxy-3-(1-methoxypropan-2-ylamino)-2-methylpropanoate
CID 104643639

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate?
The IUPAC name of methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate (CID 79624902) is methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate.
What is the SMILES notation for methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate?
The canonical SMILES for methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate is COCC(NCC(C)(C)C(=O)OC)C(C)C.
What is the InChIKey of methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate?
The InChIKey is UMJYLNKJDLRJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO3/c1-9(2)10(7-15-5)13-8-12(3,4)11(14)16-6/h9-10,13H,7-8H2,1-6H3.
What are the key properties of methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate?
methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate has a molecular weight of 231.34 g/mol, XLogP of 1.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2,2-dimethylpropanoate is sourced from PubChem (CID 79624902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).