methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate

C13H24N2O4 — CID 66259275

IUPACmethyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate
SMILESCCNC1COCC1C(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-5-14-11-8-19-7-10(11)12(16)15(3)6-9(2)13(17)18-4/h9-11,14H,5-8H2,1-4H3
InChIKeyIPTWGDGTXXYDBV-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.12
Rot. Bonds6

About methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate

methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate (PubChem CID 66259275) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate
PubChem CID66259275
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Namemethyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate
SMILESCCNC1COCC1C(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C13H24N2O4/c1-5-14-11-8-19-7-10(11)12(16)15(3)6-9(2)13(17)18-4/h9-11,14H,5-8H2,1-4H3
InChIKeyIPTWGDGTXXYDBV-UHFFFAOYSA-N
XLogP-0.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate (CID 66259275) is methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate is CCNC1COCC1C(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate?
The InChIKey is IPTWGDGTXXYDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-5-14-11-8-19-7-10(11)12(16)15(3)6-9(2)13(17)18-4/h9-11,14H,5-8H2,1-4H3.
What are the key properties of methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate?
methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate has a molecular weight of 272.34 g/mol, XLogP of -0.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(ethylamino)oxolane-3-carbonyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 66259275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).