methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate

C16H24N2O5 — CID 175119748

IUPACmethyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate
SMILESCOC(=O)C1(N2CC3(CCCN3C(=O)C(C)C)C2=O)CCOC1
InChIInChI=1S/C16H24N2O5/c1-11(2)12(19)17-7-4-5-15(17)9-18(13(15)20)16(14(21)22-3)6-8-23-10-16/h11H,4-10H2,1-3H3
InChIKeyIGFPAQZVJYKVDA-UHFFFAOYSA-N
MW324.38 g/mol
LogP0.18
Rot. Bonds3

About methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate

methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate (PubChem CID 175119748) has the molecular formula C16H24N2O5 and a molecular weight of 324.38 g/mol. Its IUPAC name is methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate.

Molecular Properties

Compound Namemethyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate
PubChem CID175119748
Molecular FormulaC16H24N2O5
Molecular Weight324.38 g/mol
Exact Mass324.17
IUPAC Namemethyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate
SMILESCOC(=O)C1(N2CC3(CCCN3C(=O)C(C)C)C2=O)CCOC1
InChIInChI=1S/C16H24N2O5/c1-11(2)12(19)17-7-4-5-15(17)9-18(13(15)20)16(14(21)22-3)6-8-23-10-16/h11H,4-10H2,1-3H3
InChIKeyIGFPAQZVJYKVDA-UHFFFAOYSA-N
XLogP0.18
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate with MolForge

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Related Compounds

[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
CID 148619155
methyl (2S)-2-methyl-1-(2-methylpropanoyl)pyrrolidine-2-carboxylate
CID 58388106
2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]acetamide
CID 171080897
2-amino-1-(7-oxa-1-azaspiro[4.4]nonan-1-yl)propan-1-one
CID 126997899
benzyl (2S)-2-[(4R)-5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]propanoate
CID 156702889
methyl (2R)-1-(2-methylpropanoyl)-2-prop-2-enylpyrrolidine-2-carboxylate
CID 155775317
2-[(1S,2R)-2-hydroxy-1-(1,2,4-oxadiazol-5-yl)propyl]-5-(2-methylpropanoyl)-2,5-diazaspiro[3.4]octan-3-one
CID 78318211
methyl 1-morpholin-4-ylcyclopentane-1-carboxylate
CID 67506200
(2R)-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.5]nonan-2-yl]-3-sulfanylpropanamide
CID 171080838
methyl 3-propan-2-yloxyoxolane-3-carboxylate
CID 122164212
1-(3,3-dimethylmorpholin-4-yl)-2-methoxypropan-1-one
CID 48521768
(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanoic acid
CID 90329986

Frequently Asked Questions

What is the IUPAC name of methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate?
The IUPAC name of methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate (CID 175119748) is methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate.
What is the SMILES notation for methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate?
The canonical SMILES for methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate is COC(=O)C1(N2CC3(CCCN3C(=O)C(C)C)C2=O)CCOC1.
What is the InChIKey of methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate?
The InChIKey is IGFPAQZVJYKVDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O5/c1-11(2)12(19)17-7-4-5-15(17)9-18(13(15)20)16(14(21)22-3)6-8-23-10-16/h11H,4-10H2,1-3H3.
What are the key properties of methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate?
methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate has a molecular weight of 324.38 g/mol, XLogP of 0.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]oxolane-3-carboxylate is sourced from PubChem (CID 175119748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).