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

C7H11ClN2O4 — CID 167723738

IUPAC2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1C(=O)OCC12CNC2
InChIInChI=1S/C7H10N2O4.ClH/c10-5(11)1-9-6(12)13-4-7(9)2-8-3-7;/h8H,1-4H2,(H,10,11);1H
InChIKeyFUDGRHZBDHDRHE-UHFFFAOYSA-N
MW222.63 g/mol
LogP-0.71
Rot. Bonds2

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

2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride (PubChem CID 167723738) has the molecular formula C7H11ClN2O4 and a molecular weight of 222.63 g/mol. Its IUPAC name is 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride
PubChem CID167723738
Molecular FormulaC7H11ClN2O4
Molecular Weight222.63 g/mol
Exact Mass222.04
IUPAC Name2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride
SMILESCl.O=C(O)CN1C(=O)OCC12CNC2
InChIInChI=1S/C7H10N2O4.ClH/c10-5(11)1-9-6(12)13-4-7(9)2-8-3-7;/h8H,1-4H2,(H,10,11);1H
InChIKeyFUDGRHZBDHDRHE-UHFFFAOYSA-N
XLogP-0.71
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.63
LogP ≤ 5-0.71
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;hydrochloride?
The IUPAC name of 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride (CID 167723738) is 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride.
What is the SMILES notation for 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride?
The canonical SMILES for 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride is Cl.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;hydrochloride?
The InChIKey is FUDGRHZBDHDRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4.ClH/c10-5(11)1-9-6(12)13-4-7(9)2-8-3-7;/h8H,1-4H2,(H,10,11);1H.
What are the key properties of 2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride?
2-(6-oxo-7-oxa-2,5-diazaspiro[3.4]octan-5-yl)acetic acid;hydrochloride has a molecular weight of 222.63 g/mol, XLogP of -0.71, 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;hydrochloride is sourced from PubChem (CID 167723738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).