5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid

C8H13NO4 — CID 150614566

IUPAC5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2COC(CO)(C2)C1
InChIInChI=1S/C8H13NO4/c10-5-8-1-6(3-13-8)2-9(4-8)7(11)12/h6,10H,1-5H2,(H,11,12)
InChIKeyIUPOOCLPIDOLEY-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.25
Rot. Bonds1

About 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid

5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 150614566) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID150614566
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2COC(CO)(C2)C1
InChIInChI=1S/C8H13NO4/c10-5-8-1-6(3-13-8)2-9(4-8)7(11)12/h6,10H,1-5H2,(H,11,12)
InChIKeyIUPOOCLPIDOLEY-UHFFFAOYSA-N
XLogP-0.25
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 150614566) is 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid is O=C(O)N1CC2COC(CO)(C2)C1.
What is the InChIKey of 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is IUPOOCLPIDOLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-5-8-1-6(3-13-8)2-9(4-8)7(11)12/h6,10H,1-5H2,(H,11,12).
What are the key properties of 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 150614566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).