methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate

C12H20N2O6 — CID 3243567

IUPACmethyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)CCCCC(=O)NCC(=O)OC
InChIInChI=1S/C12H20N2O6/c1-19-11(17)7-13-9(15)5-3-4-6-10(16)14-8-12(18)20-2/h3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVSSRFPKGBOEGMJ-UHFFFAOYSA-N
MW288.30 g/mol
LogP-0.87
Rot. Bonds9

About methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate

methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate (PubChem CID 3243567) has the molecular formula C12H20N2O6 and a molecular weight of 288.30 g/mol. Its IUPAC name is methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
PubChem CID3243567
Molecular FormulaC12H20N2O6
Molecular Weight288.30 g/mol
Exact Mass288.13
IUPAC Namemethyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate
SMILESCOC(=O)CNC(=O)CCCCC(=O)NCC(=O)OC
InChIInChI=1S/C12H20N2O6/c1-19-11(17)7-13-9(15)5-3-4-6-10(16)14-8-12(18)20-2/h3-8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyVSSRFPKGBOEGMJ-UHFFFAOYSA-N
XLogP-0.87
TPSA110.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-0.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate with MolForge

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Related Compounds

methyl 2-(4-methoxybutanoylamino)acetate
CID 112729446
sodium;hydride;methyl 2-(dodecanoylamino)acetate
CID 175291448
methyl 6-oxo-6-(2-oxopropylamino)hexanoate
CID 166976916
methyl 2-(pent-4-enoylamino)acetate
CID 59153848
methyl 2-(7-phenylheptanoylamino)acetate
CID 44563078
methyl 5-[(3,3-dimethyl-2-oxobutyl)amino]-5-oxopentanoate
CID 77231289
methyl 3-[3-[(2-methoxy-2-oxoethyl)amino]-3-oxopropyl]sulfanylpropanoate
CID 130272723
methyl 5-[[2-(methylamino)-2-oxoethyl]amino]-5-oxopentanoate
CID 10798751
methyl 2-(3-methylsulfonylpropanoylamino)acetate
CID 43623270
methyl 6-[[6-[[6-[[6-[(6-methoxy-6-oxohexyl)amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexanoate
CID 71625530
tert-butyl 2-(12-methoxydodecanoylamino)acetate
CID 15432302
methyl 2-[(2-aminoacetyl)amino]acetate;hydrochloride
CID 13029724

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate?
The IUPAC name of methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate (CID 3243567) is methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate?
The canonical SMILES for methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate is COC(=O)CNC(=O)CCCCC(=O)NCC(=O)OC.
What is the InChIKey of methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate?
The InChIKey is VSSRFPKGBOEGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O6/c1-19-11(17)7-13-9(15)5-3-4-6-10(16)14-8-12(18)20-2/h3-8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate?
methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate has a molecular weight of 288.30 g/mol, XLogP of -0.87, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-[(2-methoxy-2-oxoethyl)amino]-6-oxohexanoyl]amino]acetate is sourced from PubChem (CID 3243567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).