methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate

C10H17N3O4 — CID 60660510

IUPACmethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
SMILESC=CCNC(=O)NC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C10H17N3O4/c1-4-5-11-10(16)12-8(14)6-13(2)7-9(15)17-3/h4H,1,5-7H2,2-3H3,(H2,11,12,14,16)
InChIKeyJMGILKQAPZSOGO-UHFFFAOYSA-N
MW243.26 g/mol
LogP-0.90
Rot. Bonds6

About methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate

methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate (PubChem CID 60660510) has the molecular formula C10H17N3O4 and a molecular weight of 243.26 g/mol. Its IUPAC name is methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
PubChem CID60660510
Molecular FormulaC10H17N3O4
Molecular Weight243.26 g/mol
Exact Mass243.12
IUPAC Namemethyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate
SMILESC=CCNC(=O)NC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C10H17N3O4/c1-4-5-11-10(16)12-8(14)6-13(2)7-9(15)17-3/h4H,1,5-7H2,2-3H3,(H2,11,12,14,16)
InChIKeyJMGILKQAPZSOGO-UHFFFAOYSA-N
XLogP-0.90
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
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-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate (CID 60660510) is methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate is C=CCNC(=O)NC(=O)CN(C)CC(=O)OC.
What is the InChIKey of methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate?
The InChIKey is JMGILKQAPZSOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O4/c1-4-5-11-10(16)12-8(14)6-13(2)7-9(15)17-3/h4H,1,5-7H2,2-3H3,(H2,11,12,14,16).
What are the key properties of methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate?
methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate has a molecular weight of 243.26 g/mol, XLogP of -0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-oxo-2-(prop-2-enylcarbamoylamino)ethyl]amino]acetate is sourced from PubChem (CID 60660510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).