methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate

C7H12ClNO2 — CID 60697941

IUPACmethyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
SMILESC=C(Cl)CN(C)CC(=O)OC
InChIInChI=1S/C7H12ClNO2/c1-6(8)4-9(2)5-7(10)11-3/h1,4-5H2,2-3H3
InChIKeyZEIOMTTZNZCHBY-UHFFFAOYSA-N
MW177.63 g/mol
LogP0.84
Rot. Bonds4

About methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate

methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate (PubChem CID 60697941) has the molecular formula C7H12ClNO2 and a molecular weight of 177.63 g/mol. Its IUPAC name is methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
PubChem CID60697941
Molecular FormulaC7H12ClNO2
Molecular Weight177.63 g/mol
Exact Mass177.06
IUPAC Namemethyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
SMILESC=C(Cl)CN(C)CC(=O)OC
InChIInChI=1S/C7H12ClNO2/c1-6(8)4-9(2)5-7(10)11-3/h1,4-5H2,2-3H3
InChIKeyZEIOMTTZNZCHBY-UHFFFAOYSA-N
XLogP0.84
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.63
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
CID 62011366
methyl 3-[(2-methoxy-2-oxoethyl)-methylamino]propanoate
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methyl 2-[2-chloroprop-2-enyl(cyclopentyl)amino]acetate
CID 80710177
methyl 3-[2-chloroprop-2-enyl(propan-2-yl)amino]propanoate
CID 56790014
2-[(2-methoxy-2-oxoethyl)-methylamino]ethyl 2-methylprop-2-enoate
CID 163436746
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]-methylamino]acetate
CID 55028611
methyl 2-[(2-butoxy-2-oxoethyl)-methylamino]acetate
CID 60697821
methyl 2-[2-chloroprop-2-enyl(methyl)amino]-2-methylpropanoate
CID 75386746
methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate
CID 60673152
methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate
CID 134927445
methyl 2-(2-chloroprop-2-enylamino)acetate
CID 60687733
methyl 2-[methanidyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 123211502

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate?
The IUPAC name of methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate (CID 60697941) is methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate?
The canonical SMILES for methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate is C=C(Cl)CN(C)CC(=O)OC.
What is the InChIKey of methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate?
The InChIKey is ZEIOMTTZNZCHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClNO2/c1-6(8)4-9(2)5-7(10)11-3/h1,4-5H2,2-3H3.
What are the key properties of methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate?
methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate has a molecular weight of 177.63 g/mol, XLogP of 0.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate is sourced from PubChem (CID 60697941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).