2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione

C12H19NO5 — CID 107849819

IUPAC2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1C(CO)(CO)CO
InChIInChI=1S/C12H19NO5/c14-6-12(7-15,8-16)13-9(17)5-11(10(13)18)3-1-2-4-11/h14-16H,1-8H2
InChIKeyGCDLIALNMKWQMT-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.98
Rot. Bonds4

About 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione

2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 107849819) has the molecular formula C12H19NO5 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID107849819
Molecular FormulaC12H19NO5
Molecular Weight257.29 g/mol
Exact Mass257.13
IUPAC Name2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1C(CO)(CO)CO
InChIInChI=1S/C12H19NO5/c14-6-12(7-15,8-16)13-9(17)5-11(10(13)18)3-1-2-4-11/h14-16H,1-8H2
InChIKeyGCDLIALNMKWQMT-UHFFFAOYSA-N
XLogP-0.98
TPSA98.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione (CID 107849819) is 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1C(CO)(CO)CO.
What is the InChIKey of 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is GCDLIALNMKWQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO5/c14-6-12(7-15,8-16)13-9(17)5-11(10(13)18)3-1-2-4-11/h14-16H,1-8H2.
What are the key properties of 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione?
2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 257.29 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 107849819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).