benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate

C17H24N2O2 — CID 126752953

IUPACbenzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCC(C)N1CC2(CCCN2C(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-14(2)18-12-17(13-18)9-6-10-19(17)16(20)21-11-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3
InChIKeyKQLXNYPUHZJRNE-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.88
Rot. Bonds3

About benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate

benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate (PubChem CID 126752953) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate.

Molecular Properties

Compound Namebenzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
PubChem CID126752953
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Namebenzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
SMILESCC(C)N1CC2(CCCN2C(=O)OCc2ccccc2)C1
InChIInChI=1S/C17H24N2O2/c1-14(2)18-12-17(13-18)9-6-10-19(17)16(20)21-11-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3
InChIKeyKQLXNYPUHZJRNE-UHFFFAOYSA-N
XLogP2.88
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
CID 22215050
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
benzyl 2-acetyl-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 23316670
benzyl 2-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141321626
dibenzyl (2S)-2-carbonochloridoylpyrrolidine-1,2-dicarboxylate
CID 151279854
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
benzyl (3S)-3-methyl-3-(propan-2-ylamino)piperidine-1-carboxylate
CID 97175006
benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 54125624
benzyl 2-[2-[[(2S,3R)-3-acetyloxy-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 90330257

Frequently Asked Questions

What is the IUPAC name of benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate?
The IUPAC name of benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate (CID 126752953) is benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate.
What is the SMILES notation for benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate?
The canonical SMILES for benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate is CC(C)N1CC2(CCCN2C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate?
The InChIKey is KQLXNYPUHZJRNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-14(2)18-12-17(13-18)9-6-10-19(17)16(20)21-11-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3.
What are the key properties of benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate?
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate has a molecular weight of 288.39 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate is sourced from PubChem (CID 126752953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).