methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate

C9H15NO4 — CID 60754308

IUPACmethyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H15NO4/c1-4-5-10(6-8(11)13-2)7-9(12)14-3/h4H,1,5-7H2,2-3H3
InChIKeyPJMMEAZVBSCSEV-UHFFFAOYSA-N
MW201.22 g/mol
LogP-0.18
Rot. Bonds6

About methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate

methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate (PubChem CID 60754308) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate
PubChem CID60754308
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Namemethyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate
SMILESC=CCN(CC(=O)OC)CC(=O)OC
InChIInChI=1S/C9H15NO4/c1-4-5-10(6-8(11)13-2)7-9(12)14-3/h4H,1,5-7H2,2-3H3
InChIKeyPJMMEAZVBSCSEV-UHFFFAOYSA-N
XLogP-0.18
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate?
The IUPAC name of methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate (CID 60754308) is methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate.
What is the SMILES notation for methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate?
The canonical SMILES for methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate is C=CCN(CC(=O)OC)CC(=O)OC.
What is the InChIKey of methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate?
The InChIKey is PJMMEAZVBSCSEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO4/c1-4-5-10(6-8(11)13-2)7-9(12)14-3/h4H,1,5-7H2,2-3H3.
What are the key properties of methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate?
methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate has a molecular weight of 201.22 g/mol, XLogP of -0.18, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-methoxy-2-oxoethyl)-prop-2-enylamino]acetate is sourced from PubChem (CID 60754308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).