1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid

C10H17NO4 — CID 103018735

IUPAC1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid
SMILESCOC(C)(C)CC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-10(2,15-3)4-8(12)11-5-7(6-11)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyFJIJUWRDSSIQIW-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.34
Rot. Bonds4

About 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid

1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid (PubChem CID 103018735) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid
PubChem CID103018735
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid
SMILESCOC(C)(C)CC(=O)N1CC(C(=O)O)C1
InChIInChI=1S/C10H17NO4/c1-10(2,15-3)4-8(12)11-5-7(6-11)9(13)14/h7H,4-6H2,1-3H3,(H,13,14)
InChIKeyFJIJUWRDSSIQIW-UHFFFAOYSA-N
XLogP0.34
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid (CID 103018735) is 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid is COC(C)(C)CC(=O)N1CC(C(=O)O)C1.
What is the InChIKey of 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid?
The InChIKey is FJIJUWRDSSIQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-10(2,15-3)4-8(12)11-5-7(6-11)9(13)14/h7H,4-6H2,1-3H3,(H,13,14).
What are the key properties of 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid?
1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-3-methylbutanoyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 103018735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).