ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate

C12H24N2O3 — CID 82718775

IUPACethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1(NCCN(C)C)CCOC1C
InChIInChI=1S/C12H24N2O3/c1-5-16-11(15)12(6-9-17-10(12)2)13-7-8-14(3)4/h10,13H,5-9H2,1-4H3
InChIKeyAPPKBJXBJKVFEK-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.25
Rot. Bonds6

About ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate

ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate (PubChem CID 82718775) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate
PubChem CID82718775
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Nameethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate
SMILESCCOC(=O)C1(NCCN(C)C)CCOC1C
InChIInChI=1S/C12H24N2O3/c1-5-16-11(15)12(6-9-17-10(12)2)13-7-8-14(3)4/h10,13H,5-9H2,1-4H3
InChIKeyAPPKBJXBJKVFEK-UHFFFAOYSA-N
XLogP0.25
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxamide
CID 82717987
ethyl 3-(2-azidoethylamino)-2-methyloxolane-3-carboxylate
CID 82718490
ethyl 3-(butan-2-ylamino)-2-methyloxolane-3-carboxylate
CID 82718161
ethyl 4-[2-(dimethylamino)ethylamino]oxepane-4-carboxylate
CID 65079017
ethyl 3-(4-fluoroanilino)-2-methyloxolane-3-carboxylate
CID 82719419
2-methyl-3-(propylamino)oxolane-3-carboxylic acid
CID 82718479
methyl 3-(cyclopropylmethylamino)-2-methyloxolane-3-carboxylate
CID 82719303
ethyl 3-[2-(dimethylamino)ethylamino]-1,5-dimethylpyrrolidine-3-carboxylate
CID 81467403
ethyl 3-(3-bromo-4-chloroanilino)-2-methyloxolane-3-carboxylate
CID 82718153
ethyl 1-[2-(dimethylamino)ethylamino]-3-(trifluoromethyl)cyclohexane-1-carboxylate
CID 64759457
1-[2-(dimethylamino)ethylamino]-2-methylcyclopentane-1-carboxamide
CID 65045175
ethyl 2,4,4-trimethyl-1-(propylamino)cyclohexane-1-carboxylate
CID 81320996

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate?
The IUPAC name of ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate (CID 82718775) is ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate.
What is the SMILES notation for ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate?
The canonical SMILES for ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate is CCOC(=O)C1(NCCN(C)C)CCOC1C.
What is the InChIKey of ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate?
The InChIKey is APPKBJXBJKVFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-16-11(15)12(6-9-17-10(12)2)13-7-8-14(3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate?
ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 0.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(dimethylamino)ethylamino]-2-methyloxolane-3-carboxylate is sourced from PubChem (CID 82718775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).