methyl 2-acetamido-3-(dimethylamino)prop-2-enoate

C8H14N2O3 — CID 53399665

IUPACmethyl 2-acetamido-3-(dimethylamino)prop-2-enoate
SMILESCOC(=O)C(=CN(C)C)NC(C)=O
InChIInChI=1S/C8H14N2O3/c1-6(11)9-7(5-10(2)3)8(12)13-4/h5H,1-4H3,(H,9,11)
InChIKeyDUIYXFBABCZIPX-UHFFFAOYSA-N
MW186.21 g/mol
LogP-0.30
Rot. Bonds3

About methyl 2-acetamido-3-(dimethylamino)prop-2-enoate

methyl 2-acetamido-3-(dimethylamino)prop-2-enoate (PubChem CID 53399665) has the molecular formula C8H14N2O3 and a molecular weight of 186.21 g/mol. Its IUPAC name is methyl 2-acetamido-3-(dimethylamino)prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-acetamido-3-(dimethylamino)prop-2-enoate
PubChem CID53399665
Molecular FormulaC8H14N2O3
Molecular Weight186.21 g/mol
Exact Mass186.10
IUPAC Namemethyl 2-acetamido-3-(dimethylamino)prop-2-enoate
SMILESCOC(=O)C(=CN(C)C)NC(C)=O
InChIInChI=1S/C8H14N2O3/c1-6(11)9-7(5-10(2)3)8(12)13-4/h5H,1-4H3,(H,9,11)
InChIKeyDUIYXFBABCZIPX-UHFFFAOYSA-N
XLogP-0.30
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl 2-acetamido-3-(dimethylamino)prop-2-enoate?
The IUPAC name of methyl 2-acetamido-3-(dimethylamino)prop-2-enoate (CID 53399665) is methyl 2-acetamido-3-(dimethylamino)prop-2-enoate.
What is the SMILES notation for methyl 2-acetamido-3-(dimethylamino)prop-2-enoate?
The canonical SMILES for methyl 2-acetamido-3-(dimethylamino)prop-2-enoate is COC(=O)C(=CN(C)C)NC(C)=O.
What is the InChIKey of methyl 2-acetamido-3-(dimethylamino)prop-2-enoate?
The InChIKey is DUIYXFBABCZIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O3/c1-6(11)9-7(5-10(2)3)8(12)13-4/h5H,1-4H3,(H,9,11).
What are the key properties of methyl 2-acetamido-3-(dimethylamino)prop-2-enoate?
methyl 2-acetamido-3-(dimethylamino)prop-2-enoate has a molecular weight of 186.21 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-acetamido-3-(dimethylamino)prop-2-enoate is sourced from PubChem (CID 53399665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).