6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid

C15H24N2O5 — CID 154942805

IUPAC6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid
SMILESCC(C)OC(=O)C(C(C)C)N1CCC2(CN(C(=O)O)C2)C1=O
InChIInChI=1S/C15H24N2O5/c1-9(2)11(12(18)22-10(3)4)17-6-5-15(13(17)19)7-16(8-15)14(20)21/h9-11H,5-8H2,1-4H3,(H,20,21)
InChIKeyULQSUMSXJLQENR-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.17
Rot. Bonds4

About 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid

6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid (PubChem CID 154942805) has the molecular formula C15H24N2O5 and a molecular weight of 312.37 g/mol. Its IUPAC name is 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid
PubChem CID154942805
Molecular FormulaC15H24N2O5
Molecular Weight312.37 g/mol
Exact Mass312.17
IUPAC Name6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid
SMILESCC(C)OC(=O)C(C(C)C)N1CCC2(CN(C(=O)O)C2)C1=O
InChIInChI=1S/C15H24N2O5/c1-9(2)11(12(18)22-10(3)4)17-6-5-15(13(17)19)7-16(8-15)14(20)21/h9-11H,5-8H2,1-4H3,(H,20,21)
InChIKeyULQSUMSXJLQENR-UHFFFAOYSA-N
XLogP1.17
TPSA87.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

tert-butyl 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylate
CID 154944987
(2S)-3-methyl-2-[(5S)-1-oxo-7-prop-2-enoyl-2,7-diazaspiro[4.4]nonan-2-yl]butanamide
CID 167202368
2-[(3S)-2-methyl-4-oxopentan-3-yl]-7-[(2R)-1-tritylaziridine-2-carbonyl]-2,7-diazaspiro[4.4]nonan-1-one
CID 174092322
7-methyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 154959785
(2S,3R)-3-hydroxy-2-(7-methyl-3,6-dioxo-2,7-diazaspiro[3.5]nonan-2-yl)butanamide
CID 139382772
dipropan-2-yl 2-oxoimidazolidine-1,3-dicarboxylate
CID 139667774
7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
CID 174216671
(2S,3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanoic acid
CID 134231155
(2S)-2-[(3S)-3-[(1R)-1-hydroxyethyl]-2-oxo-3-(phenylmethoxycarbonylamino)pyrrolidin-1-yl]-3-methylbutanoic acid
CID 15543024
3-[2-oxo-2-[(5R)-6-oxo-7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl]ethyl]-1,3-oxazolidin-2-one
CID 97134718
propan-2-yl 4,4-diethylpiperidine-1-carboxylate
CID 116655860
(3R)-3-hydroxy-2-(7-methyl-3-oxo-2-azaspiro[3.5]nonan-2-yl)butanamide
CID 134244857

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid?
The IUPAC name of 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid (CID 154942805) is 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid.
What is the SMILES notation for 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid?
The canonical SMILES for 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid is CC(C)OC(=O)C(C(C)C)N1CCC2(CN(C(=O)O)C2)C1=O.
What is the InChIKey of 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid?
The InChIKey is ULQSUMSXJLQENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O5/c1-9(2)11(12(18)22-10(3)4)17-6-5-15(13(17)19)7-16(8-15)14(20)21/h9-11H,5-8H2,1-4H3,(H,20,21).
What are the key properties of 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid?
6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid has a molecular weight of 312.37 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-1-oxo-1-propan-2-yloxybutan-2-yl)-5-oxo-2,6-diazaspiro[3.4]octane-2-carboxylic acid is sourced from PubChem (CID 154942805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).