azane;hydroxymethyl 2-methylprop-2-enoate

C5H11NO3 — CID 172791973

IUPACazane;hydroxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCO.N
InChIInChI=1S/C5H8O3.H3N/c1-4(2)5(7)8-3-6;/h6H,1,3H2,2H3;1H3
InChIKeySKGWHNLWYXWXFN-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.22
Rot. Bonds2

About azane;hydroxymethyl 2-methylprop-2-enoate

azane;hydroxymethyl 2-methylprop-2-enoate (PubChem CID 172791973) has the molecular formula C5H11NO3 and a molecular weight of 133.15 g/mol. Its IUPAC name is azane;hydroxymethyl 2-methylprop-2-enoate.

Molecular Properties

Compound Nameazane;hydroxymethyl 2-methylprop-2-enoate
PubChem CID172791973
Molecular FormulaC5H11NO3
Molecular Weight133.15 g/mol
Exact Mass133.07
IUPAC Nameazane;hydroxymethyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCO.N
InChIInChI=1S/C5H8O3.H3N/c1-4(2)5(7)8-3-6;/h6H,1,3H2,2H3;1H3
InChIKeySKGWHNLWYXWXFN-UHFFFAOYSA-N
XLogP0.22
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.22
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

hydroxymethyl 2-methylprop-2-enoate
CID 159274421
tris(hydroxymethyl 2-methylprop-2-enoate);propane
CID 157070076
hexakis(hydroxymethyl 2-methylprop-2-enoate);hexakis(hydroxymethyl prop-2-enoate);methane
CID 160775085
2-hydroxyethyl prop-2-enoate;hydroxymethyl 2-methylprop-2-enoate
CID 159156853
ethyl 2-methylprop-2-enoate
CID 130475774
ethene;2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate
CID 173009937
azane;propyl 2-methylprop-2-enoate
CID 172812841
ethane;bis(ethyl 2-methylprop-2-enoate)
CID 146295289
ethyl 2-methylprop-2-enoate;phosphane
CID 159151613
sodium ethyl 2-methylprop-2-enoate
CID 23346885
ethyl 2-methylprop-2-enoate;methane
CID 159235789
bis(ethane-1,2-diol);4-(2-methylprop-2-enoyloxy)butyl 2-methylprop-2-enoate
CID 88656789

Frequently Asked Questions

What is the IUPAC name of azane;hydroxymethyl 2-methylprop-2-enoate?
The IUPAC name of azane;hydroxymethyl 2-methylprop-2-enoate (CID 172791973) is azane;hydroxymethyl 2-methylprop-2-enoate.
What is the SMILES notation for azane;hydroxymethyl 2-methylprop-2-enoate?
The canonical SMILES for azane;hydroxymethyl 2-methylprop-2-enoate is C=C(C)C(=O)OCO.N.
What is the InChIKey of azane;hydroxymethyl 2-methylprop-2-enoate?
The InChIKey is SKGWHNLWYXWXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3.H3N/c1-4(2)5(7)8-3-6;/h6H,1,3H2,2H3;1H3.
What are the key properties of azane;hydroxymethyl 2-methylprop-2-enoate?
azane;hydroxymethyl 2-methylprop-2-enoate has a molecular weight of 133.15 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;hydroxymethyl 2-methylprop-2-enoate is sourced from PubChem (CID 172791973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).