methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate

C7H12N2O5 — CID 46197059

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)NCC(=O)OC
InChIInChI=1S/C7H12N2O5/c1-13-5(10)3-8-7(12)9-4-6(11)14-2/h3-4H2,1-2H3,(H2,8,9,12)
InChIKeyKUZRUDLBYVTKGM-UHFFFAOYSA-N
MW204.18 g/mol
LogP-1.37
Rot. Bonds4

About methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate (PubChem CID 46197059) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate
PubChem CID46197059
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate
SMILESCOC(=O)CNC(=O)NCC(=O)OC
InChIInChI=1S/C7H12N2O5/c1-13-5(10)3-8-7(12)9-4-6(11)14-2/h3-4H2,1-2H3,(H2,8,9,12)
InChIKeyKUZRUDLBYVTKGM-UHFFFAOYSA-N
XLogP-1.37
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate (CID 46197059) is methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate is COC(=O)CNC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate?
The InChIKey is KUZRUDLBYVTKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-13-5(10)3-8-7(12)9-4-6(11)14-2/h3-4H2,1-2H3,(H2,8,9,12).
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate has a molecular weight of 204.18 g/mol, XLogP of -1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)carbamoylamino]acetate is sourced from PubChem (CID 46197059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).