2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one

C14H23N3O3 — CID 121304107

IUPAC2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one
SMILESC[C@@H](O)[C@@H](C(=O)N1CCCC1)N1CC2(CCCN2)C1=O
InChIInChI=1S/C14H23N3O3/c1-10(18)11(12(19)16-7-2-3-8-16)17-9-14(13(17)20)5-4-6-15-14/h10-11,15,18H,2-9H2,1H3/t10-,11+,14?/m1/s1
InChIKeyGIJJXQXMMKDNEY-ZAZPPBBNSA-N
MW281.36 g/mol
LogP-0.68
Rot. Bonds3

About 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one

2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one (PubChem CID 121304107) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one.

Molecular Properties

Compound Name2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one
PubChem CID121304107
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one
SMILESC[C@@H](O)[C@@H](C(=O)N1CCCC1)N1CC2(CCCN2)C1=O
InChIInChI=1S/C14H23N3O3/c1-10(18)11(12(19)16-7-2-3-8-16)17-9-14(13(17)20)5-4-6-15-14/h10-11,15,18H,2-9H2,1H3/t10-,11+,14?/m1/s1
InChIKeyGIJJXQXMMKDNEY-ZAZPPBBNSA-N
XLogP-0.68
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one with MolForge

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Related Compounds

10-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-1,9,10-triazaspiro[4.6]undecan-11-one
CID 146175252
3-hydroxy-N-(2-methylpropyl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide
CID 123182426
2-(2-amino-3-methylbutanoyl)-2,5-diazaspiro[3.4]octan-3-one
CID 58546685
(2R)-4-methyl-2-[(5R)-10-oxo-1,9-diazaspiro[4.5]decan-9-yl]pentanoic acid
CID 11832407
4-methyl-2-(6-oxo-1,7-diazaspiro[4.4]nonan-7-yl)pentanoic acid
CID 19808298
2-iodo-9-(2-methylpropanoyl)-2,6,9-triazaspiro[4.5]decan-1-one
CID 170035617
3-[(2R)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 7916573
[3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoyl]azanium
CID 148619155
tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(hydroxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[[(2S,3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]carbamoyl]-2-(phenylmethoxymethyl)pyrrolidine-1-carboxylate;tert-butyl 2-[(3R)-3-acetyloxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-3-oxo-2-azaspiro[3.4]octane-5-carboxylate;carbanide;2-[(3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one;1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(phenylmethoxymethyl)pyrrolidine-2-carboxylic acid;[(2R)-4-oxo-3-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-4-pyrrolidin-1-ylbutan-2-yl] acetate;palladium
CID 159210480
ethane;N-(3-hydroxy-1-oxobutan-2-yl)-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)acetamide;methanamine
CID 144678652
acetyl chloride;(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-N-benzyl-3-hydroxybutanamide;(2S,3R)-N-benzyl-3-hydroxy-2-[5-(2-methylpropanoyl)-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanamide;(2S,3R)-N-benzyl-3-hydroxy-2-(3-oxo-2,5-diazaspiro[3.4]octan-2-yl)butanamide;tert-butyl 2-[(2S,3R)-1-(benzylamino)-3-hydroxy-1-oxobutan-2-yl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate;(2S,3R)-3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid;phenylmethanamine;2,2,2-trifluoroacetaldehyde
CID 159419469
(2S)-2-[(2R,3S)-3-hydroxybutan-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 96537581

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one?
The IUPAC name of 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one (CID 121304107) is 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one.
What is the SMILES notation for 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one?
The canonical SMILES for 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one is C[C@@H](O)[C@@H](C(=O)N1CCCC1)N1CC2(CCCN2)C1=O.
What is the InChIKey of 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one?
The InChIKey is GIJJXQXMMKDNEY-ZAZPPBBNSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(18)11(12(19)16-7-2-3-8-16)17-9-14(13(17)20)5-4-6-15-14/h10-11,15,18H,2-9H2,1H3/t10-,11+,14?/m1/s1.
What are the key properties of 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one?
2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one has a molecular weight of 281.36 g/mol, XLogP of -0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,3R)-3-hydroxy-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]-2,5-diazaspiro[3.4]octan-3-one is sourced from PubChem (CID 121304107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).