methyl 2-(2-chloroprop-2-enylamino)acetate

C6H10ClNO2 — CID 60687733

IUPACmethyl 2-(2-chloroprop-2-enylamino)acetate
SMILESC=C(Cl)CNCC(=O)OC
InChIInChI=1S/C6H10ClNO2/c1-5(7)3-8-4-6(9)10-2/h8H,1,3-4H2,2H3
InChIKeyXXOZDCADHCIQGE-UHFFFAOYSA-N
MW163.60 g/mol
LogP0.50
Rot. Bonds4

About methyl 2-(2-chloroprop-2-enylamino)acetate

methyl 2-(2-chloroprop-2-enylamino)acetate (PubChem CID 60687733) has the molecular formula C6H10ClNO2 and a molecular weight of 163.60 g/mol. Its IUPAC name is methyl 2-(2-chloroprop-2-enylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2-chloroprop-2-enylamino)acetate
PubChem CID60687733
Molecular FormulaC6H10ClNO2
Molecular Weight163.60 g/mol
Exact Mass163.04
IUPAC Namemethyl 2-(2-chloroprop-2-enylamino)acetate
SMILESC=C(Cl)CNCC(=O)OC
InChIInChI=1S/C6H10ClNO2/c1-5(7)3-8-4-6(9)10-2/h8H,1,3-4H2,2H3
InChIKeyXXOZDCADHCIQGE-UHFFFAOYSA-N
XLogP0.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.60
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
CID 60697941
ethane;methyl 2-(2-hydroxyethylamino)acetate
CID 178001522
methyl 2-(2-methylpropylamino)acetate
CID 22175789
methyl 2-[[(E)-4-chlorobut-2-enyl]amino]acetate
CID 81430665
methyl 2-(2-aminoethylamino)acetate;dihydrochloride
CID 22364296
methyl 2-[[2-(cycloheptylamino)-2-oxoethyl]amino]acetate
CID 60687528
methyl 2-[[2-(3-methylbutan-2-ylamino)-2-oxoethyl]amino]acetate
CID 60687550
methyl 2-(2-aminopropylamino)acetate
CID 54010376
methyl 2-(2-iodopropylamino)acetate
CID 163571817
azane;methyl 2-(methylamino)acetate
CID 87200278
methyl 2-(iodosulfanylamino)acetate
CID 142914847
methyl 4,4-dimethyl-3-methylidenepentanoate
CID 86181617

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-chloroprop-2-enylamino)acetate?
The IUPAC name of methyl 2-(2-chloroprop-2-enylamino)acetate (CID 60687733) is methyl 2-(2-chloroprop-2-enylamino)acetate.
What is the SMILES notation for methyl 2-(2-chloroprop-2-enylamino)acetate?
The canonical SMILES for methyl 2-(2-chloroprop-2-enylamino)acetate is C=C(Cl)CNCC(=O)OC.
What is the InChIKey of methyl 2-(2-chloroprop-2-enylamino)acetate?
The InChIKey is XXOZDCADHCIQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO2/c1-5(7)3-8-4-6(9)10-2/h8H,1,3-4H2,2H3.
What are the key properties of methyl 2-(2-chloroprop-2-enylamino)acetate?
methyl 2-(2-chloroprop-2-enylamino)acetate has a molecular weight of 163.60 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-chloroprop-2-enylamino)acetate is sourced from PubChem (CID 60687733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).