methyl 2-(methoxymethylcarbamoylamino)acetate

C6H12N2O4 — CID 108893664

IUPACmethyl 2-(methoxymethylcarbamoylamino)acetate
SMILESCOCNC(=O)NCC(=O)OC
InChIInChI=1S/C6H12N2O4/c1-11-4-8-6(10)7-3-5(9)12-2/h3-4H2,1-2H3,(H2,7,8,10)
InChIKeyCFYVNLZESSBHGM-UHFFFAOYSA-N
MW176.17 g/mol
LogP-0.94
Rot. Bonds4

About methyl 2-(methoxymethylcarbamoylamino)acetate

methyl 2-(methoxymethylcarbamoylamino)acetate (PubChem CID 108893664) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is methyl 2-(methoxymethylcarbamoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(methoxymethylcarbamoylamino)acetate
PubChem CID108893664
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Namemethyl 2-(methoxymethylcarbamoylamino)acetate
SMILESCOCNC(=O)NCC(=O)OC
InChIInChI=1S/C6H12N2O4/c1-11-4-8-6(10)7-3-5(9)12-2/h3-4H2,1-2H3,(H2,7,8,10)
InChIKeyCFYVNLZESSBHGM-UHFFFAOYSA-N
XLogP-0.94
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 5-0.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-(3-oxobutylcarbamoylamino)acetate
CID 108895259
1-(methoxymethyl)-3-(2-methylpropyl)urea
CID 110675890
methyl 2-(methoxycarbonylamino)acetate
CID 14133519
2-hydroxy-3-[(2-methoxy-2-oxoethyl)carbamoylamino]-2-methylpropanoic acid
CID 66173456
3-hydroxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]-3-methylbutanoic acid
CID 66001000
methyl N-(methoxymethyl)carbamate
CID 12599260
3-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 61182850
1-ethoxy-3-(methoxymethyl)urea
CID 146345453
3-methoxy-4-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 103158259
ethyl N-[2-(methoxymethylcarbamoylamino)ethyl]carbamate
CID 108893697
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
CID 3243567
4-methoxy-2-[(2-methoxy-2-oxoethyl)carbamoylamino]butanoic acid
CID 55076531

Frequently Asked Questions

What is the IUPAC name of methyl 2-(methoxymethylcarbamoylamino)acetate?
The IUPAC name of methyl 2-(methoxymethylcarbamoylamino)acetate (CID 108893664) is methyl 2-(methoxymethylcarbamoylamino)acetate.
What is the SMILES notation for methyl 2-(methoxymethylcarbamoylamino)acetate?
The canonical SMILES for methyl 2-(methoxymethylcarbamoylamino)acetate is COCNC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-(methoxymethylcarbamoylamino)acetate?
The InChIKey is CFYVNLZESSBHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-11-4-8-6(10)7-3-5(9)12-2/h3-4H2,1-2H3,(H2,7,8,10).
What are the key properties of methyl 2-(methoxymethylcarbamoylamino)acetate?
methyl 2-(methoxymethylcarbamoylamino)acetate has a molecular weight of 176.17 g/mol, XLogP of -0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(methoxymethylcarbamoylamino)acetate is sourced from PubChem (CID 108893664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).