methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate

C9H16ClNO2 — CID 106439806

IUPACmethyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)CC(C)=CCl
InChIInChI=1S/C9H16ClNO2/c1-4-11(6-8(2)5-10)7-9(12)13-3/h5H,4,6-7H2,1-3H3
InChIKeyJZPUWMMKDXQCIR-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.62
Rot. Bonds5

About methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate

methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate (PubChem CID 106439806) has the molecular formula C9H16ClNO2 and a molecular weight of 205.69 g/mol. Its IUPAC name is methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate
PubChem CID106439806
Molecular FormulaC9H16ClNO2
Molecular Weight205.69 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate
SMILESCCN(CC(=O)OC)CC(C)=CCl
InChIInChI=1S/C9H16ClNO2/c1-4-11(6-8(2)5-10)7-9(12)13-3/h5H,4,6-7H2,1-3H3
InChIKeyJZPUWMMKDXQCIR-UHFFFAOYSA-N
XLogP1.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[bis[2-(diethylamino)ethyl]amino]acetate
CID 142240195
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
methyl 2-[but-2-ynyl(ethyl)amino]acetate
CID 62309802
methyl 2-[2-[2-aminoethyl-(2-methoxy-2-oxoethyl)amino]ethyl-ethylamino]acetate
CID 155041284
methyl 2-[ethyl-[(1-hydroxycyclopentyl)methyl]amino]acetate
CID 65213036
methyl 2-[(4-chloro-2-fluorophenyl)methyl-ethylamino]acetate
CID 114857988
methyl 2-[ethyl(3-ethylsulfanylpropyl)amino]acetate
CID 115665504
methyl 2-[[4-(dimethylamino)-4-oxobutyl]-ethylamino]acetate
CID 62012741
methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
CID 62921537
methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
CID 173397356
methyl 2-[(2-chloro-3-fluorophenyl)methyl-ethylamino]acetate
CID 112550265

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate?
The IUPAC name of methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate (CID 106439806) is methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate.
What is the SMILES notation for methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate?
The canonical SMILES for methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate is CCN(CC(=O)OC)CC(C)=CCl.
What is the InChIKey of methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate?
The InChIKey is JZPUWMMKDXQCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO2/c1-4-11(6-8(2)5-10)7-9(12)13-3/h5H,4,6-7H2,1-3H3.
What are the key properties of methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate?
methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate has a molecular weight of 205.69 g/mol, XLogP of 1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(3-chloro-2-methylprop-2-enyl)-ethylamino]acetate is sourced from PubChem (CID 106439806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).