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

C7H11NO4 — CID 18954898

IUPACmethyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NC(O)C(=O)OC
InChIInChI=1S/C7H11NO4/c1-4(2)5(9)8-6(10)7(11)12-3/h6,10H,1H2,2-3H3,(H,8,9)
InChIKeyNQVJUHCFWKRBCA-UHFFFAOYSA-N
MW173.17 g/mol
LogP-0.83
Rot. Bonds3

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

methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate (PubChem CID 18954898) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
PubChem CID18954898
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Namemethyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
SMILESC=C(C)C(=O)NC(O)C(=O)OC
InChIInChI=1S/C7H11NO4/c1-4(2)5(9)8-6(10)7(11)12-3/h6,10H,1H2,2-3H3,(H,8,9)
InChIKeyNQVJUHCFWKRBCA-UHFFFAOYSA-N
XLogP-0.83
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
2-Methoxy-2-(2-methylidenebutanoylamino)acetic acid
CID 18619912
Methyl 2-hydroxy-2-(2-methylidenebutanoylamino)acetate
CID 18619913
(Methacryloylamino)(methoxy)acetic acid
CID 18937466
Methoxymethane;methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
CID 18954897
1-Butoxybutane;butyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate
CID 18954899
Butyl hydroxy[(2-methylacryloyl)amino]acetate
CID 18954900
Propyl 2-hydroxy-2-(prop-2-enoylamino)acetate
CID 18954902
Ethyl (acryloylamino)(hydroxy)acetate
CID 18997977
2-Ethoxy-2-(2-methylprop-2-enoylamino)acetic acid
CID 18997982

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
The IUPAC name of methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate (CID 18954898) is methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate is C=C(C)C(=O)NC(O)C(=O)OC.
What is the InChIKey of methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
The InChIKey is NQVJUHCFWKRBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-4(2)5(9)8-6(10)7(11)12-3/h6,10H,1H2,2-3H3,(H,8,9).
What are the key properties of methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate?
methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate has a molecular weight of 173.17 g/mol, XLogP of -0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(2-methylprop-2-enoylamino)acetate is sourced from PubChem (CID 18954898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).