methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide

C16H27N3O9 — CID 167615901

IUPACmethoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide
SMILESCOCC(=O)NCC(C)=O.COCOC(=O)CC(=O)NCNC(=O)CC(C)=O
InChIInChI=1S/C10H16N2O6.C6H11NO3/c1-7(13)3-8(14)11-5-12-9(15)4-10(16)18-6-17-2;1-5(8)3-7-6(9)4-10-2/h3-6H2,1-2H3,(H,11,14)(H,12,15);3-4H2,1-2H3,(H,7,9)
InChIKeyLSSYZHWIOVOUFC-UHFFFAOYSA-N
MW405.40 g/mol
LogP-1.97
Rot. Bonds12

About methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide

methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide (PubChem CID 167615901) has the molecular formula C16H27N3O9 and a molecular weight of 405.40 g/mol. Its IUPAC name is methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide.

Molecular Properties

Compound Namemethoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide
PubChem CID167615901
Molecular FormulaC16H27N3O9
Molecular Weight405.40 g/mol
Exact Mass405.17
IUPAC Namemethoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide
SMILESCOCC(=O)NCC(C)=O.COCOC(=O)CC(=O)NCNC(=O)CC(C)=O
InChIInChI=1S/C10H16N2O6.C6H11NO3/c1-7(13)3-8(14)11-5-12-9(15)4-10(16)18-6-17-2;1-5(8)3-7-6(9)4-10-2/h3-6H2,1-2H3,(H,11,14)(H,12,15);3-4H2,1-2H3,(H,7,9)
InChIKeyLSSYZHWIOVOUFC-UHFFFAOYSA-N
XLogP-1.97
TPSA166.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.40
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide with MolForge

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Related Compounds

methoxymethyl 3-oxo-4-[(3-oxobutanoylamino)methylamino]butanoate
CID 54048601
methane;methoxymethyl 3-oxobutanoate
CID 158766940
methane;methoxymethyl N-(3-oxobutanoyl)carbamate
CID 157240739
methoxymethyl N-[(methoxymethoxycarbonylamino)methyl]carbamate
CID 59934481
(6-methoxy-3,5-dioxoheptan-2-yl) 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate
CID 90180797
2,3-dimethylbutyl 2-[(2-methoxyacetyl)amino]acetate
CID 90383636
2-bromo-N-(2-oxopropyl)acetamide
CID 21339518
N-tert-butyl-2-[(2-methoxyacetyl)amino]acetamide
CID 71944236
methyl 6-oxo-6-(2-oxopropylamino)hexanoate
CID 166976916
2-methoxy-N-[2-[2-[2-[2-(3-oxobutoxy)ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 118668919
[2-[(methoxycarbonylamino)methylamino]-2-oxoethyl] N-[(methoxycarbonylamino)methyl]carbamate
CID 20683013
methyl 3-[(2-methoxyacetyl)amino]propanoate
CID 60637209

Frequently Asked Questions

What is the IUPAC name of methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide?
The IUPAC name of methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide (CID 167615901) is methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide.
What is the SMILES notation for methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide?
The canonical SMILES for methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide is COCC(=O)NCC(C)=O.COCOC(=O)CC(=O)NCNC(=O)CC(C)=O.
What is the InChIKey of methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide?
The InChIKey is LSSYZHWIOVOUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6.C6H11NO3/c1-7(13)3-8(14)11-5-12-9(15)4-10(16)18-6-17-2;1-5(8)3-7-6(9)4-10-2/h3-6H2,1-2H3,(H,11,14)(H,12,15);3-4H2,1-2H3,(H,7,9).
What are the key properties of methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide?
methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide has a molecular weight of 405.40 g/mol, XLogP of -1.97, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethyl 3-oxo-3-[(3-oxobutanoylamino)methylamino]propanoate;2-methoxy-N-(2-oxopropyl)acetamide is sourced from PubChem (CID 167615901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).