methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate

C9H14N2O6 — CID 22927241

IUPACmethyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate
SMILESCCOC(=O)N(C)C(=O)N(C=O)CC(=O)OC
InChIInChI=1S/C9H14N2O6/c1-4-17-9(15)10(2)8(14)11(6-12)5-7(13)16-3/h6H,4-5H2,1-3H3
InChIKeyFUQWVUWTRPZSBO-UHFFFAOYSA-N
MW246.22 g/mol
LogP-0.17
Rot. Bonds4

About methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate

methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate (PubChem CID 22927241) has the molecular formula C9H14N2O6 and a molecular weight of 246.22 g/mol. Its IUPAC name is methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate
PubChem CID22927241
Molecular FormulaC9H14N2O6
Molecular Weight246.22 g/mol
Exact Mass246.09
IUPAC Namemethyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate
SMILESCCOC(=O)N(C)C(=O)N(C=O)CC(=O)OC
InChIInChI=1S/C9H14N2O6/c1-4-17-9(15)10(2)8(14)11(6-12)5-7(13)16-3/h6H,4-5H2,1-3H3
InChIKeyFUQWVUWTRPZSBO-UHFFFAOYSA-N
XLogP-0.17
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

Ethyl 2-[3-(2-ethoxy-2-oxoethyl)-2,4-dioxo-1,3-diazetidin-1-yl]acetate
CID 44291946
Methyl 2-[3,5-bis(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 102009465
[Bis(2-formyloxyethyl)carbamoyl-ethylamino]methyl acetate
CID 158199105
Methyl 2-[3-ethyl-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 176792924
Methyl 2-[3-(2-methoxy-2-oxoethyl)-5-methyl-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 176792942
Methyl 2-[3-(2-methoxyethoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 176792946
Methyl 2-[3-(methoxymethyl)-5-(2-methoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 176792949
2-[[(2-Methoxy-2-oxoethyl)-methylcarbamoyl]-methylamino]acetic acid
CID 43135646
Methyl 2-[dimethylcarbamoyl(methyl)amino]acetate
CID 47015988
2-[[2-Methoxyethyl(methyl)carbamoyl]-methylamino]acetic acid
CID 61428335
Methyl 2-[dimethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 78953568
Methyl 2-[diethylcarbamoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 78953615

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate?
The IUPAC name of methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate (CID 22927241) is methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate.
What is the SMILES notation for methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate?
The canonical SMILES for methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate is CCOC(=O)N(C)C(=O)N(C=O)CC(=O)OC.
What is the InChIKey of methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate?
The InChIKey is FUQWVUWTRPZSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O6/c1-4-17-9(15)10(2)8(14)11(6-12)5-7(13)16-3/h6H,4-5H2,1-3H3.
What are the key properties of methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate?
methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate has a molecular weight of 246.22 g/mol, XLogP of -0.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[ethoxycarbonyl(methyl)carbamoyl]-formylamino]acetate is sourced from PubChem (CID 22927241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).