3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid

C16H26N2O6 — CID 135315624

IUPAC3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
SMILESCC(O)C(C(=O)O)N1CC2(CCC(C)N2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C16H26N2O6/c1-9-6-7-16(18(9)14(23)24-15(3,4)5)8-17(13(16)22)11(10(2)19)12(20)21/h9-11,19H,6-8H2,1-5H3,(H,20,21)
InChIKeyBZUQACJLLPPLPJ-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.82
Rot. Bonds3

About 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid

3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid (PubChem CID 135315624) has the molecular formula C16H26N2O6 and a molecular weight of 342.39 g/mol. Its IUPAC name is 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
PubChem CID135315624
Molecular FormulaC16H26N2O6
Molecular Weight342.39 g/mol
Exact Mass342.18
IUPAC Name3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
SMILESCC(O)C(C(=O)O)N1CC2(CCC(C)N2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C16H26N2O6/c1-9-6-7-16(18(9)14(23)24-15(3,4)5)8-17(13(16)22)11(10(2)19)12(20)21/h9-11,19H,6-8H2,1-5H3,(H,20,21)
InChIKeyBZUQACJLLPPLPJ-UHFFFAOYSA-N
XLogP0.82
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid
CID 135315576
tert-butyl 2-[(1S,2R)-2-hydroxy-1-(1,3,4-oxadiazol-2-yl)propyl]-6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 135167833
tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126626029
tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 122594416
(2S,3R)-2-(5-acetyl-3-oxo-2,5-diazaspiro[3.4]octan-2-yl)-3-hydroxybutanoic acid
CID 90329986
tert-butyl 2-[3-hydroxy-1-[(4-methoxyphenyl)methylamino]-1-oxobutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 135315619
2-(hydroxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90318891
2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid
CID 123490191
2-ethoxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 174885391
(5S)-2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 76844442
5-O-tert-butyl 6-O-methyl 3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5,6-dicarboxylate
CID 134230733
tert-butyl 6-[[[(2S,3R)-3-hydroxy-1-(methylamino)-1-oxobutan-2-yl]amino]methyl]-3-oxo-2-phenylmethoxy-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 134230859

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid?
The IUPAC name of 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid (CID 135315624) is 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid.
What is the SMILES notation for 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid?
The canonical SMILES for 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid is CC(O)C(C(=O)O)N1CC2(CCC(C)N2C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid?
The InChIKey is BZUQACJLLPPLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O6/c1-9-6-7-16(18(9)14(23)24-15(3,4)5)8-17(13(16)22)11(10(2)19)12(20)21/h9-11,19H,6-8H2,1-5H3,(H,20,21).
What are the key properties of 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid?
3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid has a molecular weight of 342.39 g/mol, XLogP of 0.82, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[6-methyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]butanoic acid is sourced from PubChem (CID 135315624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).