(8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid

C9H12N2O4 — CID 67113783

IUPAC(8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid
SMILESCN1C(=O)NC(=O)C12CC[C@@H](C(=O)O)C2
InChIInChI=1S/C9H12N2O4/c1-11-8(15)10-7(14)9(11)3-2-5(4-9)6(12)13/h5H,2-4H2,1H3,(H,12,13)(H,10,14,15)/t5-,9?/m1/s1
InChIKeySFBOUKMTHXTCGL-RRPHZQQHSA-N
MW212.20 g/mol
LogP-0.21
Rot. Bonds1

About (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid

(8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid (PubChem CID 67113783) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid.

Molecular Properties

Compound Name(8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid
PubChem CID67113783
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name(8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid
SMILESCN1C(=O)NC(=O)C12CC[C@@H](C(=O)O)C2
InChIInChI=1S/C9H12N2O4/c1-11-8(15)10-7(14)9(11)3-2-5(4-9)6(12)13/h5H,2-4H2,1H3,(H,12,13)(H,10,14,15)/t5-,9?/m1/s1
InChIKeySFBOUKMTHXTCGL-RRPHZQQHSA-N
XLogP-0.21
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid?
The IUPAC name of (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid (CID 67113783) is (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid.
What is the SMILES notation for (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid?
The canonical SMILES for (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid is CN1C(=O)NC(=O)C12CC[C@@H](C(=O)O)C2.
What is the InChIKey of (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid?
The InChIKey is SFBOUKMTHXTCGL-RRPHZQQHSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-11-8(15)10-7(14)9(11)3-2-5(4-9)6(12)13/h5H,2-4H2,1H3,(H,12,13)(H,10,14,15)/t5-,9?/m1/s1.
What are the key properties of (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid?
(8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of -0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1-methyl-2,4-dioxo-1,3-diazaspiro[4.4]nonane-8-carboxylic acid is sourced from PubChem (CID 67113783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).