methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate

C10H21NO3 — CID 103033239

IUPACmethyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
SMILESCOC(=O)C(C)NCCC(C)(C)OC
InChIInChI=1S/C10H21NO3/c1-8(9(12)13-4)11-7-6-10(2,3)14-5/h8,11H,6-7H2,1-5H3
InChIKeyVOPRQSZOLWEPOR-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.95
Rot. Bonds6

About methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate

methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate (PubChem CID 103033239) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
PubChem CID103033239
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate
SMILESCOC(=O)C(C)NCCC(C)(C)OC
InChIInChI=1S/C10H21NO3/c1-8(9(12)13-4)11-7-6-10(2,3)14-5/h8,11H,6-7H2,1-5H3
InChIKeyVOPRQSZOLWEPOR-UHFFFAOYSA-N
XLogP0.95
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(3,3-dimethylbutylamino)propanoate
CID 54129426
methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate
CID 54046049
methyl 2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentanoate
CID 103033254
methyl 2-(3,3,3-trifluoropropylamino)propanoate
CID 63226175
methyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]propanoate
CID 22737584
dimethyl 2-(3-methoxy-3-methylbutyl)propanedioate
CID 103023222
N-(1,1-dimethoxypropan-2-yl)-3-methoxy-3-methylbutan-1-amine
CID 106675441
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
methyl 4-methoxy-2,4-dimethylpentanoate
CID 22982800
ethyl 6-methoxy-2,6-dimethylheptanoate
CID 118230502
2-[(3-methoxy-3-methylbutyl)amino]-4-methylpentan-1-ol
CID 103033211
methyl 2-(octylamino)propanoate
CID 60780709

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate?
The IUPAC name of methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate (CID 103033239) is methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate.
What is the SMILES notation for methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate?
The canonical SMILES for methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate is COC(=O)C(C)NCCC(C)(C)OC.
What is the InChIKey of methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate?
The InChIKey is VOPRQSZOLWEPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-8(9(12)13-4)11-7-6-10(2,3)14-5/h8,11H,6-7H2,1-5H3.
What are the key properties of methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate?
methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate has a molecular weight of 203.28 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxy-3-methylbutyl)amino]propanoate is sourced from PubChem (CID 103033239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).