methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate

C9H17NO5 — CID 18954897

IUPACmethoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NC(O)C(=O)OC.COC
InChIInChI=1S/C7H11NO4.C2H6O/c1-4(2)5(9)8-6(10)7(11)12-3;1-3-2/h6,10H,1H2,2-3H3,(H,8,9);1-2H3
InChIKeyIXSJCFPZDPKAFF-UHFFFAOYSA-N
MW219.24 g/mol
LogP-0.57
Rot. Bonds3

About methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate

methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate (PubChem CID 18954897) has the molecular formula C9H17NO5 and a molecular weight of 219.24 g/mol. Its IUPAC name is methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate.

Molecular Properties

Compound Namemethoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
PubChem CID18954897
Molecular FormulaC9H17NO5
Molecular Weight219.24 g/mol
Exact Mass219.11
IUPAC Namemethoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NC(O)C(=O)OC.COC
InChIInChI=1S/C7H11NO4.C2H6O/c1-4(2)5(9)8-6(10)7(11)12-3;1-3-2/h6,10H,1H2,2-3H3,(H,8,9);1-2H3
InChIKeyIXSJCFPZDPKAFF-UHFFFAOYSA-N
XLogP-0.57
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-hydroxy-2-(1-oxo-2-propenylamino)acetate
CID 157058
Ethyl hydroxy((2-methyl-1-oxoallyl)amino)acetate
CID 16205916
2-Hydroxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18937473
Ethoxyethane;methyl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 17847099
2-Methoxy-2-(2-methylidenebutanoylamino)acetic acid
CID 18619912
Methyl 2-hydroxy-2-(2-methylidenebutanoylamino)acetate
CID 18619913
(Methacryloylamino)(methoxy)acetic acid
CID 18937466
Methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
CID 18954898
1-Butoxybutane;butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
CID 18954899
Butyl hydroxy[(2-methylacryloyl)amino]acetate
CID 18954900
1-Propoxypropane;propyl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18954901
Propyl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18954902

Frequently Asked Questions

What is the IUPAC name of methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
The IUPAC name of methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate (CID 18954897) is methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate.
What is the SMILES notation for methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
The canonical SMILES for methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate is C=C(C)C(=O)NC(O)C(=O)OC.COC.
What is the InChIKey of methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
The InChIKey is IXSJCFPZDPKAFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4.C2H6O/c1-4(2)5(9)8-6(10)7(11)12-3;1-3-2/h6,10H,1H2,2-3H3,(H,8,9);1-2H3.
What are the key properties of methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate has a molecular weight of 219.24 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate is sourced from PubChem (CID 18954897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).