methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate

C8H13NO4 — CID 60720902

IUPACmethyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate
SMILESCOC(=O)CN(C)C1CCOC1=O
InChIInChI=1S/C8H13NO4/c1-9(5-7(10)12-2)6-3-4-13-8(6)11/h6H,3-5H2,1-2H3
InChIKeyNLVKLTXDFFWYMN-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.59
Rot. Bonds3

About methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate

methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate (PubChem CID 60720902) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate
PubChem CID60720902
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Namemethyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate
SMILESCOC(=O)CN(C)C1CCOC1=O
InChIInChI=1S/C8H13NO4/c1-9(5-7(10)12-2)6-3-4-13-8(6)11/h6H,3-5H2,1-2H3
InChIKeyNLVKLTXDFFWYMN-UHFFFAOYSA-N
XLogP-0.59
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate?
The IUPAC name of methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate (CID 60720902) is methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate.
What is the SMILES notation for methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate?
The canonical SMILES for methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate is COC(=O)CN(C)C1CCOC1=O.
What is the InChIKey of methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate?
The InChIKey is NLVKLTXDFFWYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c1-9(5-7(10)12-2)6-3-4-13-8(6)11/h6H,3-5H2,1-2H3.
What are the key properties of methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate?
methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate has a molecular weight of 187.19 g/mol, XLogP of -0.59, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate is sourced from PubChem (CID 60720902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).