methyl 3-(methylcarbamoyloxy)propanoate

C6H11NO4 — CID 58766338

IUPACmethyl 3-(methylcarbamoyloxy)propanoate
SMILESCNC(=O)OCCC(=O)OC
InChIInChI=1S/C6H11NO4/c1-7-6(9)11-4-3-5(8)10-2/h3-4H2,1-2H3,(H,7,9)
InChIKeyOLEZUOPOMZSJHT-UHFFFAOYSA-N
MW161.16 g/mol
LogP-0.09
Rot. Bonds3

About methyl 3-(methylcarbamoyloxy)propanoate

methyl 3-(methylcarbamoyloxy)propanoate (PubChem CID 58766338) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is methyl 3-(methylcarbamoyloxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(methylcarbamoyloxy)propanoate
PubChem CID58766338
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Namemethyl 3-(methylcarbamoyloxy)propanoate
SMILESCNC(=O)OCCC(=O)OC
InChIInChI=1S/C6H11NO4/c1-7-6(9)11-4-3-5(8)10-2/h3-4H2,1-2H3,(H,7,9)
InChIKeyOLEZUOPOMZSJHT-UHFFFAOYSA-N
XLogP-0.09
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(methylcarbamoyloxy)propanoate?
The IUPAC name of methyl 3-(methylcarbamoyloxy)propanoate (CID 58766338) is methyl 3-(methylcarbamoyloxy)propanoate.
What is the SMILES notation for methyl 3-(methylcarbamoyloxy)propanoate?
The canonical SMILES for methyl 3-(methylcarbamoyloxy)propanoate is CNC(=O)OCCC(=O)OC.
What is the InChIKey of methyl 3-(methylcarbamoyloxy)propanoate?
The InChIKey is OLEZUOPOMZSJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-7-6(9)11-4-3-5(8)10-2/h3-4H2,1-2H3,(H,7,9).
What are the key properties of methyl 3-(methylcarbamoyloxy)propanoate?
methyl 3-(methylcarbamoyloxy)propanoate has a molecular weight of 161.16 g/mol, XLogP of -0.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(methylcarbamoyloxy)propanoate is sourced from PubChem (CID 58766338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).