azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid

C13H23NO6 — CID 173410542

IUPACazane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=CC(=O)OC.N
InChIInChI=1S/C5H8O2.2C4H6O2.H3N/c1-4(2)5(6)7-3;1-3-4(5)6-2;1-3(2)4(5)6;/h1H2,2-3H3;3H,1H2,2H3;1H2,2H3,(H,5,6);1H3
InChIKeyJXYTZGCGIVISBH-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.89
Rot. Bonds3

About azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid

azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid (PubChem CID 173410542) has the molecular formula C13H23NO6 and a molecular weight of 289.33 g/mol. Its IUPAC name is azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid.

Molecular Properties

Compound Nameazane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid
PubChem CID173410542
Molecular FormulaC13H23NO6
Molecular Weight289.33 g/mol
Exact Mass289.15
IUPAC Nameazane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.C=C(C)C(=O)OC.C=CC(=O)OC.N
InChIInChI=1S/C5H8O2.2C4H6O2.H3N/c1-4(2)5(6)7-3;1-3-4(5)6-2;1-3(2)4(5)6;/h1H2,2-3H3;3H,1H2,2H3;1H2,2H3,(H,5,6);1H3
InChIKeyJXYTZGCGIVISBH-UHFFFAOYSA-N
XLogP1.89
TPSA124.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-hydroxyprop-2-enoate;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174692194
ethane-1,2-diol;methyl prop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 175208053
pentakis(ethyl prop-2-enoate);heptakis(methyl 2-methylprop-2-enoate);heptakis(2-methylprop-2-enoic acid)
CID 173459467
methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;trihydrochloride
CID 172746567
(3-methoxy-3-oxoprop-1-en-2-yl) 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174822092
methyl prop-2-enoate;propan-2-yl 2-methylprop-2-enoate
CID 174883570
buta-1,3-diene;methyl 2-methylprop-2-enoate;prop-2-enoic acid
CID 121332885
azane;ethane;bis(methyl 2-methylprop-2-enoate)
CID 173203662
2-methylbut-2-enoic acid;methyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid
CID 159558073
2-chlorobuta-1,3-diene;methyl 2-methylprop-2-enoate
CID 86748634
methanol;methyl 2-methylprop-2-enoate;2-methylprop-2-enal;2-methylprop-1-ene;bis(2-methylprop-2-enoic acid);molecular oxygen
CID 160751832
dodecane-1-thiol;methyl 2-methylprop-2-enoate;methyl prop-2-enoate
CID 174301392

Frequently Asked Questions

What is the IUPAC name of azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid?
The IUPAC name of azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid (CID 173410542) is azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid.
What is the SMILES notation for azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid?
The canonical SMILES for azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid is C=C(C)C(=O)O.C=C(C)C(=O)OC.C=CC(=O)OC.N.
What is the InChIKey of azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid?
The InChIKey is JXYTZGCGIVISBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2.2C4H6O2.H3N/c1-4(2)5(6)7-3;1-3-4(5)6-2;1-3(2)4(5)6;/h1H2,2-3H3;3H,1H2,2H3;1H2,2H3,(H,5,6);1H3.
What are the key properties of azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid?
azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid has a molecular weight of 289.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for azane;methyl 2-methylprop-2-enoate;methyl prop-2-enoate;2-methylprop-2-enoic acid is sourced from PubChem (CID 173410542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).