2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid

C17H28N2O6 — CID 123490191

IUPAC2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid
SMILESCC1CCC2(CC(=O)N(C(CO)C(=O)O)C2C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O6/c1-10-6-7-17(19(10)15(24)25-16(3,4)5)8-13(21)18(11(17)2)12(9-20)14(22)23/h10-12,20H,6-9H2,1-5H3,(H,22,23)
InChIKeyVRASZIZGSGMDHB-UHFFFAOYSA-N
MW356.42 g/mol
LogP1.21
Rot. Bonds3

About 2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid

2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid (PubChem CID 123490191) has the molecular formula C17H28N2O6 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid
PubChem CID123490191
Molecular FormulaC17H28N2O6
Molecular Weight356.42 g/mol
Exact Mass356.19
IUPAC Name2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid
SMILESCC1CCC2(CC(=O)N(C(CO)C(=O)O)C2C)N1C(=O)OC(C)(C)C
InChIInChI=1S/C17H28N2O6/c1-10-6-7-17(19(10)15(24)25-16(3,4)5)8-13(21)18(11(17)2)12(9-20)14(22)23/h10-12,20H,6-9H2,1-5H3,(H,22,23)
InChIKeyVRASZIZGSGMDHB-UHFFFAOYSA-N
XLogP1.21
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-[(2S)-1,3-dihydroxybutan-2-yl]-1,6-dimethyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 122594416
2-(hydroxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90318891
tert-butyl 1,6-dimethyl-3-oxo-2-[(2S)-1-oxo-1,3-bis(phenylmethoxy)propan-2-yl]-2,5-diazaspiro[3.4]octane-5-carboxylate;tert-butyl 2-(1-hydroxyethyl)-5-methyl-2-[(3S)-4-oxo-4-phenylmethoxy-3-(phenylmethoxymethyl)butanoyl]pyrrolidine-1-carboxylate;(2S)-2-[1,6-dimethyl-5-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxo-2,5-diazaspiro[3.4]octan-2-yl]-3-hydroxypropanoic acid;2-(1-hydroxyethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 159103412
2-ethoxy-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 174885391
tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126626029
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
2-(butoxymethyl)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 90330018
(5S)-2-[2-(4-bromophenyl)-2-oxoethyl]-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 76844442
tert-butyl (1R,2S,4R)-2-hydroxy-1-(hydroxymethyl)-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 130980057
tert-butyl 1-(dimethoxymethyl)-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171784277
tert-butyl 5-(hydroxymethyl)-2,2-dimethylpyrrolidine-1-carboxylate
CID 70949192
tert-butyl 1-hydroxy-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 142641725

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid?
The IUPAC name of 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) is 2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid is CC1CCC2(CC(=O)N(C(CO)C(=O)O)C2C)N1C(=O)OC(C)(C)C.
What is the InChIKey of 2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid?
The InChIKey is VRASZIZGSGMDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O6/c1-10-6-7-17(19(10)15(24)25-16(3,4)5)8-13(21)18(11(17)2)12(9-20)14(22)23/h10-12,20H,6-9H2,1-5H3,(H,22,23).
What are the key properties of 2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid?
2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid has a molecular weight of 356.42 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dimethyl-1-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxo-1,7-diazaspiro[4.4]nonan-7-yl]-3-hydroxypropanoic acid is sourced from PubChem (CID 123490191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).