ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate

C15H24N2O6 — CID 159445544

IUPACethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(C)CC(=O)OC.C=CC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C8H13NO3.C7H11NO3/c1-4-7(10)9(3)6-8(11)12-5-2;1-4-6(9)8(2)5-7(10)11-3/h4H,1,5-6H2,2-3H3;4H,1,5H2,2-3H3
InChIKeyLSSFHVQFTCTLBL-UHFFFAOYSA-N
MW328.37 g/mol
LogP-0.00
Rot. Bonds7

About ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate

ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate (PubChem CID 159445544) has the molecular formula C15H24N2O6 and a molecular weight of 328.37 g/mol. Its IUPAC name is ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate
PubChem CID159445544
Molecular FormulaC15H24N2O6
Molecular Weight328.37 g/mol
Exact Mass328.16
IUPAC Nameethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate
SMILESC=CC(=O)N(C)CC(=O)OC.C=CC(=O)N(C)CC(=O)OCC
InChIInChI=1S/C8H13NO3.C7H11NO3/c1-4-7(10)9(3)6-8(11)12-5-2;1-4-6(9)8(2)5-7(10)11-3/h4H,1,5-6H2,2-3H3;4H,1,5H2,2-3H3
InChIKeyLSSFHVQFTCTLBL-UHFFFAOYSA-N
XLogP-0.00
TPSA93.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 5-0.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate?
The IUPAC name of ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate (CID 159445544) is ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate.
What is the SMILES notation for ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate?
The canonical SMILES for ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate is C=CC(=O)N(C)CC(=O)OC.C=CC(=O)N(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate?
The InChIKey is LSSFHVQFTCTLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO3.C7H11NO3/c1-4-7(10)9(3)6-8(11)12-5-2;1-4-6(9)8(2)5-7(10)11-3/h4H,1,5-6H2,2-3H3;4H,1,5H2,2-3H3.
What are the key properties of ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate?
ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate has a molecular weight of 328.37 g/mol, XLogP of -0.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[methyl(prop-2-enoyl)amino]acetate;methyl 2-[methyl(prop-2-enoyl)amino]acetate is sourced from PubChem (CID 159445544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).