methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate

C8H11NO5 — CID 11138127

IUPACmethyl 2-acetyloxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(OC(C)=O)C(=O)OC
InChIInChI=1S/C8H11NO5/c1-4-6(11)9-7(8(12)13-3)14-5(2)10/h4,7H,1H2,2-3H3,(H,9,11)
InChIKeyNIMMVSBFKZUJFW-UHFFFAOYSA-N
MW201.18 g/mol
LogP-0.65
Rot. Bonds4

About methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate

methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate (PubChem CID 11138127) has the molecular formula C8H11NO5 and a molecular weight of 201.18 g/mol. Its IUPAC name is methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate.

Molecular Properties

Compound Namemethyl 2-acetyloxy-2-(prop-2-enoylamino)acetate
PubChem CID11138127
Molecular FormulaC8H11NO5
Molecular Weight201.18 g/mol
Exact Mass201.06
IUPAC Namemethyl 2-acetyloxy-2-(prop-2-enoylamino)acetate
SMILESC=CC(=O)NC(OC(C)=O)C(=O)OC
InChIInChI=1S/C8H11NO5/c1-4-6(11)9-7(8(12)13-3)14-5(2)10/h4,7H,1H2,2-3H3,(H,9,11)
InChIKeyNIMMVSBFKZUJFW-UHFFFAOYSA-N
XLogP-0.65
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
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'}

Analyze methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate?
The IUPAC name of methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate (CID 11138127) is methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate.
What is the SMILES notation for methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate?
The canonical SMILES for methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate is C=CC(=O)NC(OC(C)=O)C(=O)OC.
What is the InChIKey of methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate?
The InChIKey is NIMMVSBFKZUJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO5/c1-4-6(11)9-7(8(12)13-3)14-5(2)10/h4,7H,1H2,2-3H3,(H,9,11).
What are the key properties of methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate?
methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate has a molecular weight of 201.18 g/mol, XLogP of -0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetyloxy-2-(prop-2-enoylamino)acetate is sourced from PubChem (CID 11138127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).