methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate

C10H17NO2 — CID 101007571

IUPACmethyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
SMILESC=C(C)CN(C)CC(=C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-8(2)6-11(4)7-9(3)10(12)13-5/h1,3,6-7H2,2,4-5H3
InChIKeyJRQYRGPCVCBJSB-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds5

About methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate

methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate (PubChem CID 101007571) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
PubChem CID101007571
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Namemethyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
SMILESC=C(C)CN(C)CC(=C)C(=O)OC
InChIInChI=1S/C10H17NO2/c1-8(2)6-11(4)7-9(3)10(12)13-5/h1,3,6-7H2,2,4-5H3
InChIKeyJRQYRGPCVCBJSB-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[[tert-butyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate
CID 101011628
methyl 2-[[methyl(2-phosphonooxyethyl)amino]methyl]prop-2-enoate
CID 58805775
methyl 2-methylidenebutanoate;propan-2-one
CID 174771904
methyl 2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoacetate
CID 112616658
hydron;methyl 2-methylidenebutanoate
CID 174760127
3-methoxycarbonylbut-3-enoic acid
CID 4613903
methyl 2-[(N-acetylanilino)methyl]prop-2-enoate
CID 122402502
carbonodithioic S,S-acid;methyl 2-methylprop-2-enoate
CID 87195360
N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492
methyl 3-[methyl(3-methylbut-3-enyl)amino]propanoate
CID 114448928
methyl 2-[2-chloroprop-2-enyl(methyl)amino]acetate
CID 60697941
methyl 2-(diethylamino)prop-2-enoate
CID 14744312

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate?
The IUPAC name of methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate (CID 101007571) is methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate.
What is the SMILES notation for methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate?
The canonical SMILES for methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate is C=C(C)CN(C)CC(=C)C(=O)OC.
What is the InChIKey of methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate?
The InChIKey is JRQYRGPCVCBJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(2)6-11(4)7-9(3)10(12)13-5/h1,3,6-7H2,2,4-5H3.
What are the key properties of methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate?
methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate has a molecular weight of 183.25 g/mol, XLogP of 1.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[methyl(2-methylprop-2-enyl)amino]methyl]prop-2-enoate is sourced from PubChem (CID 101007571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).