2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid

C7H10N2O4 — CID 167718575

IUPAC2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid
SMILESO=C(O)CN1C(=O)OCC12CNC2
InChIInChI=1S/C7H10N2O4/c10-5(11)1-9-6(12)13-4-7(9)2-8-3-7/h8H,1-4H2,(H,10,11)
InChIKeyOFVVOSFSTICWSW-UHFFFAOYSA-N
MW186.17 g/mol
LogP-1.13
Rot. Bonds2

About 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid

2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid (PubChem CID 167718575) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid.

Molecular Properties

Compound Name2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid
PubChem CID167718575
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Name2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid
SMILESO=C(O)CN1C(=O)OCC12CNC2
InChIInChI=1S/C7H10N2O4/c10-5(11)1-9-6(12)13-4-7(9)2-8-3-7/h8H,1-4H2,(H,10,11)
InChIKeyOFVVOSFSTICWSW-UHFFFAOYSA-N
XLogP-1.13
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid?
The IUPAC name of 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid (CID 167718575) is 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid.
What is the SMILES notation for 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid?
The canonical SMILES for 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid is O=C(O)CN1C(=O)OCC12CNC2.
What is the InChIKey of 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid?
The InChIKey is OFVVOSFSTICWSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c10-5(11)1-9-6(12)13-4-7(9)2-8-3-7/h8H,1-4H2,(H,10,11).
What are the key properties of 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid?
2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid has a molecular weight of 186.17 g/mol, XLogP of -1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid is sourced from PubChem (CID 167718575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).