1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid

C11H19NO3 — CID 115246414

IUPAC1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNC2CCOCC2)CCC1
InChIInChI=1S/C11H19NO3/c13-10(14)11(4-1-5-11)8-12-9-2-6-15-7-3-9/h9,12H,1-8H2,(H,13,14)
InChIKeySONCBMHSWHOTEC-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.01
Rot. Bonds4

About 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid

1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid (PubChem CID 115246414) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid
PubChem CID115246414
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(CNC2CCOCC2)CCC1
InChIInChI=1S/C11H19NO3/c13-10(14)11(4-1-5-11)8-12-9-2-6-15-7-3-9/h9,12H,1-8H2,(H,13,14)
InChIKeySONCBMHSWHOTEC-UHFFFAOYSA-N
XLogP1.01
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid (CID 115246414) is 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid is O=C(O)C1(CNC2CCOCC2)CCC1.
What is the InChIKey of 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid?
The InChIKey is SONCBMHSWHOTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c13-10(14)11(4-1-5-11)8-12-9-2-6-15-7-3-9/h9,12H,1-8H2,(H,13,14).
What are the key properties of 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid?
1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid has a molecular weight of 213.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(oxan-4-ylamino)methyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 115246414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).