benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

C19H24N2O5 — CID 54125624

IUPACbenzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESCOC(=O)[C@H](C)N1CCC2(CCCN2C(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C19H24N2O5/c1-14(16(22)25-2)20-12-10-19(17(20)23)9-6-11-21(19)18(24)26-13-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3/t14-,19?/m0/s1
InChIKeyNQTFBQAPMHTNPJ-KTQQKIMGSA-N
MW360.41 g/mol
LogP1.95
Rot. Bonds4

About benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate (PubChem CID 54125624) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate.

Molecular Properties

Compound Namebenzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
PubChem CID54125624
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Namebenzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESCOC(=O)[C@H](C)N1CCC2(CCCN2C(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C19H24N2O5/c1-14(16(22)25-2)20-12-10-19(17(20)23)9-6-11-21(19)18(24)26-13-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3/t14-,19?/m0/s1
InChIKeyNQTFBQAPMHTNPJ-KTQQKIMGSA-N
XLogP1.95
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate with MolForge

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Related Compounds

benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
CID 156702889
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate
CID 11683243
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
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126752953
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
benzyl (4R)-spiro[2,3-dihydro-1H-quinoline-4,2'-pyrrolidine]-1'-carboxylate
CID 125421522
benzyl (2R)-1-[(5R)-1-(2-methylprop-2-enoyl)-6-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-2-propan-2-ylcyclopropane-1-carboxylate
CID 163552987
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219

Frequently Asked Questions

What is the IUPAC name of benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The IUPAC name of benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate (CID 54125624) is benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate.
What is the SMILES notation for benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The canonical SMILES for benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate is COC(=O)[C@H](C)N1CCC2(CCCN2C(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The InChIKey is NQTFBQAPMHTNPJ-KTQQKIMGSA-N. The full InChI is InChI=1S/C19H24N2O5/c1-14(16(22)25-2)20-12-10-19(17(20)23)9-6-11-21(19)18(24)26-13-15-7-4-3-5-8-15/h3-5,7-8,14H,6,9-13H2,1-2H3/t14-,19?/m0/s1.
What are the key properties of benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate is sourced from PubChem (CID 54125624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).