methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride

C9H16ClNO2 — CID 173397356

IUPACmethyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
SMILESC=CCN(CC=C)CC(=O)OC.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-4-6-10(7-5-2)8-9(11)12-3;/h4-5H,1-2,6-8H2,3H3;1H
InChIKeyNZYLFQVVCVXBCP-UHFFFAOYSA-N
MW205.69 g/mol
LogP1.26
Rot. Bonds6

About methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride

methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride (PubChem CID 173397356) has the molecular formula C9H16ClNO2 and a molecular weight of 205.69 g/mol. Its IUPAC name is methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
PubChem CID173397356
Molecular FormulaC9H16ClNO2
Molecular Weight205.69 g/mol
Exact Mass205.09
IUPAC Namemethyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride
SMILESC=CCN(CC=C)CC(=O)OC.Cl
InChIInChI=1S/C9H15NO2.ClH/c1-4-6-10(7-5-2)8-9(11)12-3;/h4-5H,1-2,6-8H2,3H3;1H
InChIKeyNZYLFQVVCVXBCP-UHFFFAOYSA-N
XLogP1.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.69
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-[bis(prop-2-enyl)amino]-2-oxoethyl]-(2-methoxy-2-oxoethyl)amino]acetate
CID 62954660
methyl 2-[benzyl(prop-2-enyl)amino]acetate
CID 10798914
methyl 2-[hydroxymethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 90025602
ethyl 2-[prop-2-enyl(2,2,2-trifluoroethyl)amino]acetate
CID 78977809
methyl (E)-4-[[(E)-4-methoxy-4-oxobut-2-enyl]-prop-2-enylamino]but-2-enoate
CID 11448154
ethyl 2-[2,2-dimethoxyethyl(prop-2-enyl)amino]acetate
CID 115539187
methyl 2-[bis(2-amino-2-oxoethyl)amino]acetate
CID 62921537
methyl 2-[2-chloroethyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 139666753
N,N-bis(prop-2-enyl)prop-2-en-1-amine;carbonic acid
CID 173029925
methyl 2-[methyl-[(2Z)-penta-2,4-dienyl]amino]acetate
CID 134927445
ethyl 2-[(2-oxo-2-pyrrolidin-1-ylethyl)-prop-2-enylamino]acetate
CID 78979118
2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]-prop-2-enylamino]acetic acid
CID 79275518

Frequently Asked Questions

What is the IUPAC name of methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride?
The IUPAC name of methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride (CID 173397356) is methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride?
The canonical SMILES for methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride is C=CCN(CC=C)CC(=O)OC.Cl.
What is the InChIKey of methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride?
The InChIKey is NZYLFQVVCVXBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2.ClH/c1-4-6-10(7-5-2)8-9(11)12-3;/h4-5H,1-2,6-8H2,3H3;1H.
What are the key properties of methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride?
methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride has a molecular weight of 205.69 g/mol, XLogP of 1.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis(prop-2-enyl)amino]acetate;hydrochloride is sourced from PubChem (CID 173397356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).