[3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate

C11H19NO3 — CID 151009011

IUPAC[3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCN(C)C)C1CO1
InChIInChI=1S/C11H19NO3/c1-8(2)11(13)15-9(10-7-14-10)5-6-12(3)4/h9-10H,1,5-7H2,2-4H3
InChIKeyLVRQOZXFCMFWEO-UHFFFAOYSA-N
MW213.28 g/mol
LogP0.82
Rot. Bonds6

About [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate

[3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate (PubChem CID 151009011) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate
PubChem CID151009011
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name[3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(CCN(C)C)C1CO1
InChIInChI=1S/C11H19NO3/c1-8(2)11(13)15-9(10-7-14-10)5-6-12(3)4/h9-10H,1,5-7H2,2-4H3
InChIKeyLVRQOZXFCMFWEO-UHFFFAOYSA-N
XLogP0.82
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

6-(2-methylprop-2-enoyloxy)-6-(oxiran-2-yl)hex-2-enoic acid
CID 87060204
[1-(oxiran-2-yl)-2-phenylethyl] 2-methylprop-2-enoate
CID 169086617
3-[3-amino-1-(oxiran-2-yl)propoxy]carbonylbut-3-enoic acid
CID 139622962
14-(dimethylamino)tetradecan-3-yl 2-methylprop-2-enoate
CID 174290137
[5-(dimethylamino)-3-methylpentyl] 2-methylprop-2-enoate
CID 11367867
dimethyl-[2-methylprop-2-enoyloxy(oxiran-2-yl)methyl]-prop-2-enoylazanium
CID 87997397
7-(oxiran-2-yl)heptan-2-yl 2-methylprop-2-enoate
CID 175959895
2-(dimethylamino)ethyl 2-methylprop-2-enoate;hydrazine
CID 161393762
diaminomethyl 2-methylprop-2-enoate
CID 18522879
1-hydroxypropyl 2-methylprop-2-enoate;2-(oxiran-2-ylmethoxymethyl)oxirane
CID 174689374
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
(1-hydroxy-2-trimethylsilylethyl) 2-methylprop-2-enoate
CID 54055275

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate?
The IUPAC name of [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate (CID 151009011) is [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate.
What is the SMILES notation for [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate?
The canonical SMILES for [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(CCN(C)C)C1CO1.
What is the InChIKey of [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate?
The InChIKey is LVRQOZXFCMFWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(2)11(13)15-9(10-7-14-10)5-6-12(3)4/h9-10H,1,5-7H2,2-4H3.
What are the key properties of [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate?
[3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate has a molecular weight of 213.28 g/mol, XLogP of 0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)-1-(oxiran-2-yl)propyl] 2-methylprop-2-enoate is sourced from PubChem (CID 151009011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).