methyl 2,2-bis(prop-2-enoylamino)acetate

C9H12N2O4 — CID 19043999

IUPACmethyl 2,2-bis(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(NC(=O)C=C)C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-4-6(12)10-8(9(14)15-3)11-7(13)5-2/h4-5,8H,1-2H2,3H3,(H,10,12)(H,11,13)
InChIKeyKGBYWOBFKDOZKE-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.91
Rot. Bonds5

About methyl 2,2-bis(prop-2-enoylamino)acetate

methyl 2,2-bis(prop-2-enoylamino)acetate (PubChem CID 19043999) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is methyl 2,2-bis(prop-2-enoylamino)acetate.

Molecular Properties

Compound Namemethyl 2,2-bis(prop-2-enoylamino)acetate
PubChem CID19043999
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namemethyl 2,2-bis(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(NC(=O)C=C)C(=O)OC
InChIInChI=1S/C9H12N2O4/c1-4-6(12)10-8(9(14)15-3)11-7(13)5-2/h4-5,8H,1-2H2,3H3,(H,10,12)(H,11,13)
InChIKeyKGBYWOBFKDOZKE-UHFFFAOYSA-N
XLogP-0.91
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.91
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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Frequently Asked Questions

What is the IUPAC name of methyl 2,2-bis(prop-2-enoylamino)acetate?
The IUPAC name of methyl 2,2-bis(prop-2-enoylamino)acetate (CID 19043999) is methyl 2,2-bis(prop-2-enoylamino)acetate.
What is the SMILES notation for methyl 2,2-bis(prop-2-enoylamino)acetate?
The canonical SMILES for methyl 2,2-bis(prop-2-enoylamino)acetate is C=CC(=O)NC(NC(=O)C=C)C(=O)OC.
What is the InChIKey of methyl 2,2-bis(prop-2-enoylamino)acetate?
The InChIKey is KGBYWOBFKDOZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-4-6(12)10-8(9(14)15-3)11-7(13)5-2/h4-5,8H,1-2H2,3H3,(H,10,12)(H,11,13).
What are the key properties of methyl 2,2-bis(prop-2-enoylamino)acetate?
methyl 2,2-bis(prop-2-enoylamino)acetate has a molecular weight of 212.20 g/mol, XLogP of -0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-bis(prop-2-enoylamino)acetate is sourced from PubChem (CID 19043999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).