methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate

C10H17NO3 — CID 177073013

IUPACmethyl 1-(3-methylbutanoyl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)CC(C)C)C1
InChIInChI=1S/C10H17NO3/c1-7(2)4-9(12)11-5-8(6-11)10(13)14-3/h7-8H,4-6H2,1-3H3
InChIKeyLZKFMDSTGGWVGJ-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.66
Rot. Bonds3

About methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate

methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate (PubChem CID 177073013) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylbutanoyl)azetidine-3-carboxylate
PubChem CID177073013
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Namemethyl 1-(3-methylbutanoyl)azetidine-3-carboxylate
SMILESCOC(=O)C1CN(C(=O)CC(C)C)C1
InChIInChI=1S/C10H17NO3/c1-7(2)4-9(12)11-5-8(6-11)10(13)14-3/h7-8H,4-6H2,1-3H3
InChIKeyLZKFMDSTGGWVGJ-UHFFFAOYSA-N
XLogP0.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate?
The IUPAC name of methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate (CID 177073013) is methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate is COC(=O)C1CN(C(=O)CC(C)C)C1.
What is the InChIKey of methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate?
The InChIKey is LZKFMDSTGGWVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-7(2)4-9(12)11-5-8(6-11)10(13)14-3/h7-8H,4-6H2,1-3H3.
What are the key properties of methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate?
methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylbutanoyl)azetidine-3-carboxylate is sourced from PubChem (CID 177073013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).