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

C17H20N2O3 — CID 58432815

IUPACbenzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
SMILESC[C@H]1C[C@@]2(C=CC(=O)N2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13-11-17(8-7-15(20)18-17)9-10-19(13)16(21)22-12-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,18,20)/t13-,17+/m0/s1
InChIKeyUJWAJHXBZISLFR-SUMWQHHRSA-N
MW300.36 g/mol
LogP2.23
Rot. Bonds2

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

benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate (PubChem CID 58432815) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate.

Molecular Properties

Compound Namebenzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
PubChem CID58432815
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Namebenzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate
SMILESC[C@H]1C[C@@]2(C=CC(=O)N2)CCN1C(=O)OCc1ccccc1
InChIInChI=1S/C17H20N2O3/c1-13-11-17(8-7-15(20)18-17)9-10-19(13)16(21)22-12-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,18,20)/t13-,17+/m0/s1
InChIKeyUJWAJHXBZISLFR-SUMWQHHRSA-N
XLogP2.23
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
The IUPAC name of benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate (CID 58432815) is benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate.
What is the SMILES notation for benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
The canonical SMILES for benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate is C[C@H]1C[C@@]2(C=CC(=O)N2)CCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
The InChIKey is UJWAJHXBZISLFR-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-11-17(8-7-15(20)18-17)9-10-19(13)16(21)22-12-14-5-3-2-4-6-14/h2-8,13H,9-12H2,1H3,(H,18,20)/t13-,17+/m0/s1.
What are the key properties of benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate?
benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (5R,7S)-7-methyl-2-oxo-1,8-diazaspiro[4.5]dec-3-ene-8-carboxylate is sourced from PubChem (CID 58432815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).