3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid

C7H13NO3 — CID 88874127

IUPAC3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid
SMILESCON(C)C1CC(C(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-8(11-2)6-3-5(4-6)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyOLJQXGPLMOAWIR-UHFFFAOYSA-N
MW159.18 g/mol
LogP0.34
Rot. Bonds3

About 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid

3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid (PubChem CID 88874127) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid
PubChem CID88874127
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid
SMILESCON(C)C1CC(C(=O)O)C1
InChIInChI=1S/C7H13NO3/c1-8(11-2)6-3-5(4-6)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKeyOLJQXGPLMOAWIR-UHFFFAOYSA-N
XLogP0.34
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid?
The IUPAC name of 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid (CID 88874127) is 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid is CON(C)C1CC(C(=O)O)C1.
What is the InChIKey of 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid?
The InChIKey is OLJQXGPLMOAWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-8(11-2)6-3-5(4-6)7(9)10/h5-6H,3-4H2,1-2H3,(H,9,10).
What are the key properties of 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid?
3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid has a molecular weight of 159.18 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(methyl)amino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 88874127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).