benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate

C17H22N2O3 — CID 135183084

IUPACbenzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate
SMILESCC1CCC2(CN(CCC(=O)OCc3ccccc3)C2=O)N1
InChIInChI=1S/C17H22N2O3/c1-13-7-9-17(18-13)12-19(16(17)21)10-8-15(20)22-11-14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3
InChIKeyNONZYYDCIHQZOG-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.47
Rot. Bonds5

About benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate

benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate (PubChem CID 135183084) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate.

Molecular Properties

Compound Namebenzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate
PubChem CID135183084
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Namebenzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate
SMILESCC1CCC2(CN(CCC(=O)OCc3ccccc3)C2=O)N1
InChIInChI=1S/C17H22N2O3/c1-13-7-9-17(18-13)12-19(16(17)21)10-8-15(20)22-11-14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3
InChIKeyNONZYYDCIHQZOG-UHFFFAOYSA-N
XLogP1.47
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate with MolForge

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

Launch Full Analysis

Related Compounds

benzyl 3-(2-oxopiperazin-1-yl)propanoate
CID 67570499
benzyl 3-(azetidin-1-yl)propanoate
CID 156875495
benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 50999035
benzyl 3-(1,4-dioxo-3H-phthalazin-2-yl)propanoate
CID 23934388
dibenzyl 1,3,6-trimethylazepane-3,6-dicarboxylate
CID 167239709
benzyl 1-hydroxy-4-methylcyclohexane-1-carboxylate
CID 175022873
benzyl 3-[(3aR,6R,7aS)-6-methyl-3,3a,4,6,7,7a-hexahydropyrano[4,3-c][1,2]oxazol-1-yl]propanoate
CID 15093917
benzyl 3-[(2S)-pyrrolidin-2-yl]propanoate
CID 58375773
benzyl 3-(4-butylpiperazin-1-yl)propanoate
CID 20795375
benzyl 3-(4-benzyl-3,6-dioxopiperazin-2-yl)propanoate
CID 123664935
benzyl 2-[(9S)-11-oxo-9-phenyl-6,10-diazaspiro[4.6]undecan-10-yl]acetate
CID 86616407
7-O-benzyl 1-O-[[4-[(1S)-2-methylcyclopropyl]phenyl]methyl] 4-hydroxyheptanedioate
CID 143823138

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate?
The IUPAC name of benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate (CID 135183084) is benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate.
What is the SMILES notation for benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate?
The canonical SMILES for benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate is CC1CCC2(CN(CCC(=O)OCc3ccccc3)C2=O)N1.
What is the InChIKey of benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate?
The InChIKey is NONZYYDCIHQZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13-7-9-17(18-13)12-19(16(17)21)10-8-15(20)22-11-14-5-3-2-4-6-14/h2-6,13,18H,7-12H2,1H3.
What are the key properties of benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate?
benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate has a molecular weight of 302.37 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(6-methyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)propanoate is sourced from PubChem (CID 135183084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).