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

C9H16ClNO2 — CID 62011366

IUPACmethyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
SMILESC=C(Cl)CN(CCC)CC(=O)OC
InChIInChI=1S/C9H16ClNO2/c1-4-5-11(6-8(2)10)7-9(12)13-3/h2,4-7H2,1,3H3
InChIKeyHLLVNJYQWOVDEN-UHFFFAOYSA-N
MW205.68 g/mol
LogP1.62
Rot. Bonds6

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

methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate (PubChem CID 62011366) has the molecular formula C9H16ClNO2 and a molecular weight of 205.68 g/mol. Its IUPAC name is methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
PubChem CID62011366
Molecular FormulaC9H16ClNO2
Molecular Weight205.68 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate
SMILESC=C(Cl)CN(CCC)CC(=O)OC
InChIInChI=1S/C9H16ClNO2/c1-4-5-11(6-8(2)10)7-9(12)13-3/h2,4-7H2,1,3H3
InChIKeyHLLVNJYQWOVDEN-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.68
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
methyl 2-[2-aminoethyl(propyl)amino]acetate
CID 63383086
methyl 2-[(2-butoxy-2-oxoethyl)-propylamino]acetate
CID 62012348
methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
CID 60697941
methyl 2-[2-[2-[bis(2-methoxy-2-oxoethyl)amino]ethyl-(2-methoxy-2-oxoethyl)amino]ethyl-butylamino]acetate
CID 58850907
methyl 2-[2-ethylbutyl(propyl)amino]acetate
CID 78978764
methyl 2-[(3-amino-3-oxopropyl)-propylamino]acetate
CID 62011552
methyl 2-[[2-oxo-2-(pentan-3-ylamino)ethyl]-propylamino]acetate
CID 61035559
methyl 2-[(2-methoxy-2-oxoethyl)-(2-propoxyethyl)amino]acetate
CID 106456115
methyl 2-[5-hydroxypentyl(propyl)amino]acetate
CID 55210802
methyl 2-[(5-ethylthiophen-2-yl)methyl-propylamino]acetate
CID 62010972
methyl 2-[[2-[cyclopropyl(methyl)amino]-2-oxoethyl]-propylamino]acetate
CID 62011161

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate?
The IUPAC name of methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate (CID 62011366) is methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate.
What is the SMILES notation for methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate?
The canonical SMILES for methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate is C=C(Cl)CN(CCC)CC(=O)OC.
What is the InChIKey of methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate?
The InChIKey is HLLVNJYQWOVDEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-4-5-11(6-8(2)10)7-9(12)13-3/h2,4-7H2,1,3H3.
What are the key properties of methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate?
methyl 2-[2-chloroprop-2-enyl(propyl)amino]acetate has a molecular weight of 205.68 g/mol, XLogP of 1.62, 6 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(propyl)amino]acetate is sourced from PubChem (CID 62011366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).