methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate

C11H19NO4 — CID 112581325

IUPACmethyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(C(=O)OC)C(C)C
InChIInChI=1S/C11H19NO4/c1-7(2)9(11(14)16-4)12-6-5-8(12)10(13)15-3/h7-9H,5-6H2,1-4H3
InChIKeyKFQBZJOWPVYBIH-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.43
Rot. Bonds4

About methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate

methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate (PubChem CID 112581325) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate
PubChem CID112581325
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Namemethyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate
SMILESCOC(=O)C1CCN1C(C(=O)OC)C(C)C
InChIInChI=1S/C11H19NO4/c1-7(2)9(11(14)16-4)12-6-5-8(12)10(13)15-3/h7-9H,5-6H2,1-4H3
InChIKeyKFQBZJOWPVYBIH-UHFFFAOYSA-N
XLogP0.43
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
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 ≤ 105

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Related Compounds

methyl 1-(1-cyclopropylpropan-2-yl)azetidine-2-carboxylate
CID 112581488
methyl 1-(6-methylheptan-2-yl)azetidine-2-carboxylate
CID 112581368
methyl 1-(4-methylhexan-2-yl)azetidine-2-carboxylate
CID 112581502
methyl 1-[(1R)-1-phenylethyl]azetidine-2-carboxylate
CID 21308203
methyl 3-methyl-2-pyrrolidin-1-ylbutanoate
CID 43866498
methyl 1-hex-1-yn-3-ylazetidine-2-carboxylate
CID 106225166
methyl 1-(4-hydroxy-3-methylsulfanylbutan-2-yl)azetidine-2-carboxylate
CID 106163733
methyl 1-[1-(5-chlorothiophen-2-yl)ethyl]azetidine-2-carboxylate
CID 112581265
methyl 1-(1-ethoxy-1-oxopropan-2-yl)piperidine-2-carboxylate
CID 115536932
methyl 1-methoxyazetidine-2-carboxylate
CID 559283
methyl (2R)-3-methyl-2-morpholin-4-ylbutanoate
CID 30031078
methyl 1-(4-propan-2-yloxybutyl)azetidine-2-carboxylate
CID 106003667

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate?
The IUPAC name of methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate (CID 112581325) is methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate.
What is the SMILES notation for methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate?
The canonical SMILES for methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate is COC(=O)C1CCN1C(C(=O)OC)C(C)C.
What is the InChIKey of methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate?
The InChIKey is KFQBZJOWPVYBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-7(2)9(11(14)16-4)12-6-5-8(12)10(13)15-3/h7-9H,5-6H2,1-4H3.
What are the key properties of methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate?
methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 0.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-methoxy-3-methyl-1-oxobutan-2-yl)azetidine-2-carboxylate is sourced from PubChem (CID 112581325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).