methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate

C11H19NO4 — CID 47981255

IUPACmethyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1CCOC1
InChIInChI=1S/C11H19NO4/c1-12(6-3-4-10(13)15-2)11(14)9-5-7-16-8-9/h9H,3-8H2,1-2H3
InChIKeyLFYUHOGYLBBPRH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds5

About methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate

methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate (PubChem CID 47981255) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
PubChem CID47981255
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate
SMILESCOC(=O)CCCN(C)C(=O)C1CCOC1
InChIInChI=1S/C11H19NO4/c1-12(6-3-4-10(13)15-2)11(14)9-5-7-16-8-9/h9H,3-8H2,1-2H3
InChIKeyLFYUHOGYLBBPRH-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate?
The IUPAC name of methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate (CID 47981255) is methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate is COC(=O)CCCN(C)C(=O)C1CCOC1.
What is the InChIKey of methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate?
The InChIKey is LFYUHOGYLBBPRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12(6-3-4-10(13)15-2)11(14)9-5-7-16-8-9/h9H,3-8H2,1-2H3.
What are the key properties of methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate?
methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate has a molecular weight of 229.28 g/mol, XLogP of 0.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl(oxolane-3-carbonyl)amino]butanoate is sourced from PubChem (CID 47981255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).