methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate

C12H19NO6 — CID 55151948

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1CCCCO1
InChIInChI=1S/C12H19NO6/c1-17-10(14)7-13(8-11(15)18-2)12(16)9-5-3-4-6-19-9/h9H,3-8H2,1-2H3
InChIKeyNCKQGKXJFLFHLB-UHFFFAOYSA-N
MW273.28 g/mol
LogP-0.27
Rot. Bonds5

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

methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate (PubChem CID 55151948) has the molecular formula C12H19NO6 and a molecular weight of 273.28 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
PubChem CID55151948
Molecular FormulaC12H19NO6
Molecular Weight273.28 g/mol
Exact Mass273.12
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate
SMILESCOC(=O)CN(CC(=O)OC)C(=O)C1CCCCO1
InChIInChI=1S/C12H19NO6/c1-17-10(14)7-13(8-11(15)18-2)12(16)9-5-3-4-6-19-9/h9H,3-8H2,1-2H3
InChIKeyNCKQGKXJFLFHLB-UHFFFAOYSA-N
XLogP-0.27
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[oxane-2-carbonyl(propyl)amino]acetate
CID 62213195
methyl 2-[[(2S)-oxolane-2-carbonyl]-propylamino]acetate
CID 103872780
methyl 2-[oxane-2-carbonyl(propan-2-yl)amino]acetate
CID 55048142
methyl 2-[1,4-dioxane-2-carbonyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 62952638
methyl 3-[ethyl(oxolane-2-carbonyl)amino]propanoate
CID 61009322
methyl 4-[methyl(oxane-2-carbonyl)amino]butanoate
CID 55048143
2-[carboxymethyl-[(2R)-oxolane-2-carbonyl]amino]acetic acid
CID 104855690
methyl 3-[methyl-[(2R)-oxolane-2-carbonyl]amino]propanoate
CID 103852349
3-[ethyl(oxane-2-carbonyl)amino]propanoic acid
CID 62213143
N-butyl-N-(2-hydroxyethyl)oxane-2-carboxamide
CID 62213009
2-methoxy-1-(oxan-2-yl)ethanone
CID 115783401
N,N-dibutyloxolane-2-carboxamide
CID 3414196

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate (CID 55151948) is methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate is COC(=O)CN(CC(=O)OC)C(=O)C1CCCCO1.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate?
The InChIKey is NCKQGKXJFLFHLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO6/c1-17-10(14)7-13(8-11(15)18-2)12(16)9-5-3-4-6-19-9/h9H,3-8H2,1-2H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate has a molecular weight of 273.28 g/mol, XLogP of -0.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-(oxane-2-carbonyl)amino]acetate is sourced from PubChem (CID 55151948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).