methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate

C9H15NO6 — CID 62953811

IUPACmethyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H15NO6/c1-4-16-9(13)10(5-7(11)14-2)6-8(12)15-3/h4-6H2,1-3H3
InChIKeyNJLMKWNJOWEOAL-UHFFFAOYSA-N
MW233.22 g/mol
LogP-0.21
Rot. Bonds5

About methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate

methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate (PubChem CID 62953811) has the molecular formula C9H15NO6 and a molecular weight of 233.22 g/mol. Its IUPAC name is methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
PubChem CID62953811
Molecular FormulaC9H15NO6
Molecular Weight233.22 g/mol
Exact Mass233.09
IUPAC Namemethyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
SMILESCCOC(=O)N(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H15NO6/c1-4-16-9(13)10(5-7(11)14-2)6-8(12)15-3/h4-6H2,1-3H3
InChIKeyNJLMKWNJOWEOAL-UHFFFAOYSA-N
XLogP-0.21
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.22
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[ethoxycarbonyl(ethyl)amino]propanoate
CID 61009915
ethyl 4-[ethyl-(2-methoxy-2-oxoethyl)amino]-4-oxobutanoate
CID 54979582
methyl 2-[methanidyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 123211502
methyl 2-[propyl(2,2,2-trifluoroethoxycarbonyl)amino]acetate
CID 65173620
ethyl N-[2-[ethoxycarbonyl(ethyl)amino]ethyl]-N-ethylcarbamate
CID 11777393
ethyl N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]carbamate
CID 60652174
butyl 2-[ethoxycarbonyl(ethyl)amino]acetate
CID 91714262
ethyl N-(2-amino-2-oxoethyl)-N-ethylcarbamate
CID 103104222
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propan-2-yloxyacetyl)amino]acetate
CID 112690225
diethyl propanedioate;3-O-ethyl 1-O-methyl propanedioate
CID 91497468
methyl 2-[(2-methoxy-2-oxoethyl)-(3-methylsulfonylpropanoyl)amino]acetate
CID 62954646
ethyl 4-[(2-methoxy-2-oxoethyl)-methylamino]-4-oxobutanoate
CID 43407383

Frequently Asked Questions

What is the IUPAC name of methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The IUPAC name of methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate (CID 62953811) is methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate.
What is the SMILES notation for methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The canonical SMILES for methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate is CCOC(=O)N(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate?
The InChIKey is NJLMKWNJOWEOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO6/c1-4-16-9(13)10(5-7(11)14-2)6-8(12)15-3/h4-6H2,1-3H3.
What are the key properties of methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate?
methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate has a molecular weight of 233.22 g/mol, XLogP of -0.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate is sourced from PubChem (CID 62953811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).