methane;2-methylpropyl 2-(methylamino)acetate

C8H19NO2 — CID 162173386

IUPACmethane;2-methylpropyl 2-(methylamino)acetate
SMILESC.CNCC(=O)OCC(C)C
InChIInChI=1S/C7H15NO2.CH4/c1-6(2)5-10-7(9)4-8-3;/h6,8H,4-5H2,1-3H3;1H4
InChIKeyZOBQOUYBVXSPIS-UHFFFAOYSA-N
MW161.25 g/mol
LogP1.04
Rot. Bonds4

About methane;2-methylpropyl 2-(methylamino)acetate

methane;2-methylpropyl 2-(methylamino)acetate (PubChem CID 162173386) has the molecular formula C8H19NO2 and a molecular weight of 161.25 g/mol. Its IUPAC name is methane;2-methylpropyl 2-(methylamino)acetate.

Molecular Properties

Compound Namemethane;2-methylpropyl 2-(methylamino)acetate
PubChem CID162173386
Molecular FormulaC8H19NO2
Molecular Weight161.25 g/mol
Exact Mass161.14
IUPAC Namemethane;2-methylpropyl 2-(methylamino)acetate
SMILESC.CNCC(=O)OCC(C)C
InChIInChI=1S/C7H15NO2.CH4/c1-6(2)5-10-7(9)4-8-3;/h6,8H,4-5H2,1-3H3;1H4
InChIKeyZOBQOUYBVXSPIS-UHFFFAOYSA-N
XLogP1.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methylpropyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6420840
2-methylpropyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 58333495
2-methylpropyl 6-(methylamino)hexanoate
CID 135294168
2-aminoethyl 2-(methylamino)acetate
CID 174621897
2-methylpropyl 2-[[2-(2-methylpropoxy)-2-oxoethyl]diazenyl]acetate
CID 54481908
1-O-[2-[2-[3-(2-methylpropoxy)-3-oxopropanoyl]oxyethoxy]ethyl] 3-O-(2-methylpropyl) propanedioate
CID 118298690
[2-(methylamino)acetyl] (2S)-2-methylbutanoate
CID 175881617
2-methylpropyl 3-oxohexanoate
CID 162232006
2-methylpropyl N-[2-(methylamino)ethyl]carbamate
CID 62658921
2-methylpropyl 3-fluoropropanoate
CID 140916120
bis(2-methylpropyl) (2S)-2-aminobutanedioate
CID 15607405
propyl 2-(2-methylpropoxycarbonylamino)acetate
CID 6422792

Frequently Asked Questions

What is the IUPAC name of methane;2-methylpropyl 2-(methylamino)acetate?
The IUPAC name of methane;2-methylpropyl 2-(methylamino)acetate (CID 162173386) is methane;2-methylpropyl 2-(methylamino)acetate.
What is the SMILES notation for methane;2-methylpropyl 2-(methylamino)acetate?
The canonical SMILES for methane;2-methylpropyl 2-(methylamino)acetate is C.CNCC(=O)OCC(C)C.
What is the InChIKey of methane;2-methylpropyl 2-(methylamino)acetate?
The InChIKey is ZOBQOUYBVXSPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.CH4/c1-6(2)5-10-7(9)4-8-3;/h6,8H,4-5H2,1-3H3;1H4.
What are the key properties of methane;2-methylpropyl 2-(methylamino)acetate?
methane;2-methylpropyl 2-(methylamino)acetate has a molecular weight of 161.25 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methylpropyl 2-(methylamino)acetate is sourced from PubChem (CID 162173386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).