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

C9H14N2O3 — CID 60673152

IUPACmethyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate
SMILESC#CCNC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C9H14N2O3/c1-4-5-10-8(12)6-11(2)7-9(13)14-3/h1H,5-7H2,2-3H3,(H,10,12)
InChIKeyVVMVDHIVWICPNT-UHFFFAOYSA-N
MW198.22 g/mol
LogP-1.16
Rot. Bonds5

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

methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate (PubChem CID 60673152) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate
PubChem CID60673152
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Namemethyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate
SMILESC#CCNC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C9H14N2O3/c1-4-5-10-8(12)6-11(2)7-9(13)14-3/h1H,5-7H2,2-3H3,(H,10,12)
InChIKeyVVMVDHIVWICPNT-UHFFFAOYSA-N
XLogP-1.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-1.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate?
The IUPAC name of methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate (CID 60673152) is methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate.
What is the SMILES notation for methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate?
The canonical SMILES for methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate is C#CCNC(=O)CN(C)CC(=O)OC.
What is the InChIKey of methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate?
The InChIKey is VVMVDHIVWICPNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-5-10-8(12)6-11(2)7-9(13)14-3/h1H,5-7H2,2-3H3,(H,10,12).
What are the key properties of methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate?
methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate has a molecular weight of 198.22 g/mol, XLogP of -1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate is sourced from PubChem (CID 60673152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).