(5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid

C10H14N2O3 — CID 68607293

IUPAC(5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
SMILESC[C@H]1C[C@@]2(C=CC(=O)N2)CCN1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-7-6-10(3-2-8(13)11-10)4-5-12(7)9(14)15/h2-3,7H,4-6H2,1H3,(H,11,13)(H,14,15)/t7-,10+/m0/s1
InChIKeyKSVLSGGEVGAIBB-OIBJUYFYSA-N
MW210.23 g/mol
LogP0.57
Rot. Bonds

About (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid

(5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid (PubChem CID 68607293) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid.

Molecular Properties

Compound Name(5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
PubChem CID68607293
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid
SMILESC[C@H]1C[C@@]2(C=CC(=O)N2)CCN1C(=O)O
InChIInChI=1S/C10H14N2O3/c1-7-6-10(3-2-8(13)11-10)4-5-12(7)9(14)15/h2-3,7H,4-6H2,1H3,(H,11,13)(H,14,15)/t7-,10+/m0/s1
InChIKeyKSVLSGGEVGAIBB-OIBJUYFYSA-N
XLogP0.57
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
The IUPAC name of (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid (CID 68607293) is (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid.
What is the SMILES notation for (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
The canonical SMILES for (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid is C[C@H]1C[C@@]2(C=CC(=O)N2)CCN1C(=O)O.
What is the InChIKey of (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
The InChIKey is KSVLSGGEVGAIBB-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-7-6-10(3-2-8(13)11-10)4-5-12(7)9(14)15/h2-3,7H,4-6H2,1H3,(H,11,13)(H,14,15)/t7-,10+/m0/s1.
What are the key properties of (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid?
(5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylic acid is sourced from PubChem (CID 68607293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).