methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate

C10H21NO3 — CID 102977071

IUPACmethyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate
SMILESCOC(=O)CN(C)CCC(C)(C)OC
InChIInChI=1S/C10H21NO3/c1-10(2,14-5)6-7-11(3)8-9(12)13-4/h6-8H2,1-5H3
InChIKeyMBUFUIIXEYGESM-UHFFFAOYSA-N
MW203.28 g/mol
LogP0.91
Rot. Bonds6

About methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate

methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate (PubChem CID 102977071) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate
PubChem CID102977071
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Namemethyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate
SMILESCOC(=O)CN(C)CCC(C)(C)OC
InChIInChI=1S/C10H21NO3/c1-10(2,14-5)6-7-11(3)8-9(12)13-4/h6-8H2,1-5H3
InChIKeyMBUFUIIXEYGESM-UHFFFAOYSA-N
XLogP0.91
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate?
The IUPAC name of methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate (CID 102977071) is methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate.
What is the SMILES notation for methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate?
The canonical SMILES for methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate is COC(=O)CN(C)CCC(C)(C)OC.
What is the InChIKey of methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate?
The InChIKey is MBUFUIIXEYGESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-10(2,14-5)6-7-11(3)8-9(12)13-4/h6-8H2,1-5H3.
What are the key properties of methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate?
methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate has a molecular weight of 203.28 g/mol, XLogP of 0.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-methoxy-3-methylbutyl)-methylamino]acetate is sourced from PubChem (CID 102977071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).