3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid

C10H15NO4 — CID 66032181

IUPAC3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCCOC2=O)C1
InChIInChI=1S/C10H15NO4/c12-9(13)7-2-3-8(6-7)11-4-1-5-15-10(11)14/h7-8H,1-6H2,(H,12,13)
InChIKeyJMUZBISPHKETSP-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.08
Rot. Bonds2

About 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid

3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid (PubChem CID 66032181) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
PubChem CID66032181
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1CCC(N2CCCOC2=O)C1
InChIInChI=1S/C10H15NO4/c12-9(13)7-2-3-8(6-7)11-4-1-5-15-10(11)14/h7-8H,1-6H2,(H,12,13)
InChIKeyJMUZBISPHKETSP-UHFFFAOYSA-N
XLogP1.08
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid (CID 66032181) is 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid is O=C(O)C1CCC(N2CCCOC2=O)C1.
What is the InChIKey of 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid?
The InChIKey is JMUZBISPHKETSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-9(13)7-2-3-8(6-7)11-4-1-5-15-10(11)14/h7-8H,1-6H2,(H,12,13).
What are the key properties of 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid?
3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-oxazinan-3-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66032181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).