2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate

C11H18N2O8 — CID 59464765

IUPAC2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate
SMILESCOCC(=O)OCCOC(=O)COC(=O)NCNC(C)=O
InChIInChI=1S/C11H18N2O8/c1-8(14)12-7-13-11(17)21-6-10(16)20-4-3-19-9(15)5-18-2/h3-7H2,1-2H3,(H,12,14)(H,13,17)
InChIKeyJKJJCMDTCASWHV-UHFFFAOYSA-N
MW306.27 g/mol
LogP-1.46
Rot. Bonds9

About 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate

2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate (PubChem CID 59464765) has the molecular formula C11H18N2O8 and a molecular weight of 306.27 g/mol. Its IUPAC name is 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate.

Molecular Properties

Compound Name2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate
PubChem CID59464765
Molecular FormulaC11H18N2O8
Molecular Weight306.27 g/mol
Exact Mass306.11
IUPAC Name2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate
SMILESCOCC(=O)OCCOC(=O)COC(=O)NCNC(C)=O
InChIInChI=1S/C11H18N2O8/c1-8(14)12-7-13-11(17)21-6-10(16)20-4-3-19-9(15)5-18-2/h3-7H2,1-2H3,(H,12,14)(H,13,17)
InChIKeyJKJJCMDTCASWHV-UHFFFAOYSA-N
XLogP-1.46
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.27
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxyacetyl)oxymethyl 2-hydroxyacetate;methane;methanediol;[2-[(methoxymethoxycarbonylamino)methylcarbamoyloxy]acetyl]oxymethyl 2-methoxyacetate
CID 161388859
2-(methylamino)ethyl 2-methoxyacetate
CID 23093561
[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
CID 20683013
1-O-[2-[2-[2-(acetamidomethylcarbamoyloxy)ethoxy]propoxy]ethyl] 5-O-[2-[1-(2-methoxyethoxy)propan-2-yloxy]ethyl] pentanedioate
CID 159854440
[1-[2-[2-[2-(acetamidomethylcarbamoyloxy)propanoyloxy]propanoyloxy]ethoxy]-1-oxopropan-2-yl] 2-methoxypropanoate
CID 59464762
3-O-(acetamidomethylcarbamoyloxymethyl) 1-O-(hydroxymethyl) propanedioate
CID 54556064
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
methoxyethane;2-methoxyethyl acetate;1-methoxypropane;methyl 2-acetyloxyacetate;methyl N-[(methoxycarbonylamino)methyl]carbamate
CID 167614936
CID 172843337
CID 172843337
2-[2-[2-(2-acetamidoethoxy)ethoxy]ethoxy]ethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
CID 177055297
2-methoxyethyl 2-(2-methoxyacetyl)oxypropanoate
CID 159353149
1,2-dimethoxyethane;methyl 2-methoxyacetate
CID 159708370

Frequently Asked Questions

What is the IUPAC name of 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate?
The IUPAC name of 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate (CID 59464765) is 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate.
What is the SMILES notation for 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate?
The canonical SMILES for 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate is COCC(=O)OCCOC(=O)COC(=O)NCNC(C)=O.
What is the InChIKey of 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate?
The InChIKey is JKJJCMDTCASWHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O8/c1-8(14)12-7-13-11(17)21-6-10(16)20-4-3-19-9(15)5-18-2/h3-7H2,1-2H3,(H,12,14)(H,13,17).
What are the key properties of 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate?
2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate has a molecular weight of 306.27 g/mol, XLogP of -1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(acetamidomethylcarbamoyloxy)acetyl]oxyethyl 2-methoxyacetate is sourced from PubChem (CID 59464765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).