ethyl 2-[but-2-ynyl(methyl)amino]acetate

C9H15NO2 — CID 62309803

IUPACethyl 2-[but-2-ynyl(methyl)amino]acetate
SMILESCC#CCN(C)CC(=O)OCC
InChIInChI=1S/C9H15NO2/c1-4-6-7-10(3)8-9(11)12-5-2/h5,7-8H2,1-3H3
InChIKeyBNOWWKOQJNOKQE-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.50
Rot. Bonds4

About ethyl 2-[but-2-ynyl(methyl)amino]acetate

ethyl 2-[but-2-ynyl(methyl)amino]acetate (PubChem CID 62309803) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is ethyl 2-[but-2-ynyl(methyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[but-2-ynyl(methyl)amino]acetate
PubChem CID62309803
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Nameethyl 2-[but-2-ynyl(methyl)amino]acetate
SMILESCC#CCN(C)CC(=O)OCC
InChIInChI=1S/C9H15NO2/c1-4-6-7-10(3)8-9(11)12-5-2/h5,7-8H2,1-3H3
InChIKeyBNOWWKOQJNOKQE-UHFFFAOYSA-N
XLogP0.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-aminoethyl(methyl)amino]acetate;hydrochloride
CID 154726143
ethyl 2-[[2-[ethyl(methyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62012976
ethyl 2-[2-chloroethyl(methyl)amino]acetate
CID 24846020
ethyl 2-(dimethylamino)acetate;hydrochloride
CID 86629091
ethane;ethyl 2-(dimethylamino)acetate
CID 170607054
ethyl 2-[2-ethylsulfonylethyl(methyl)amino]acetate
CID 62010807
ethyl 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62011813
methyl 3-[(2-ethoxy-2-oxoethyl)-methylamino]-2-methylpropanoate
CID 60966424
ethyl 2-[carbonochloridoyl(methyl)amino]acetate
CID 134306024
(2-ethoxy-2-oxoethyl)-methylcarbamothioic S-acid
CID 155530849
aminomethyl 2-[methyl(prop-2-ynyl)amino]acetate
CID 156724598
ethyl 2-[methyl(4,4,4-trifluorobutyl)amino]acetate
CID 115518030

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[but-2-ynyl(methyl)amino]acetate?
The IUPAC name of ethyl 2-[but-2-ynyl(methyl)amino]acetate (CID 62309803) is ethyl 2-[but-2-ynyl(methyl)amino]acetate.
What is the SMILES notation for ethyl 2-[but-2-ynyl(methyl)amino]acetate?
The canonical SMILES for ethyl 2-[but-2-ynyl(methyl)amino]acetate is CC#CCN(C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[but-2-ynyl(methyl)amino]acetate?
The InChIKey is BNOWWKOQJNOKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-6-7-10(3)8-9(11)12-5-2/h5,7-8H2,1-3H3.
What are the key properties of ethyl 2-[but-2-ynyl(methyl)amino]acetate?
ethyl 2-[but-2-ynyl(methyl)amino]acetate has a molecular weight of 169.22 g/mol, XLogP of 0.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[but-2-ynyl(methyl)amino]acetate is sourced from PubChem (CID 62309803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).