1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

C11H17NO4 — CID 20748942

IUPAC1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC(C)C(O)C12C(=O)OC1C(C)C(=O)N2C
InChIInChI=1S/C11H17NO4/c1-5(2)7(13)11-8(16-10(11)15)6(3)9(14)12(11)4/h5-8,13H,1-4H3
InChIKeyWHVJRESBTLSKHF-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.22
Rot. Bonds2

About 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (PubChem CID 20748942) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.

Molecular Properties

Compound Name1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
PubChem CID20748942
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC(C)C(O)C12C(=O)OC1C(C)C(=O)N2C
InChIInChI=1S/C11H17NO4/c1-5(2)7(13)11-8(16-10(11)15)6(3)9(14)12(11)4/h5-8,13H,1-4H3
InChIKeyWHVJRESBTLSKHF-UHFFFAOYSA-N
XLogP-0.22
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

Analyze 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione with MolForge

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Related Compounds

2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 20748956
(1S,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-4,6-dimethyl-2-thia-6-azabicyclo[3.2.0]heptane-3,7-dione
CID 135174531
diiodovanadium;(1R,4R,5S)-1-(1-hydroxyethyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 158193630
(3aR,7aS)-3-(2-chloroethyl)-7a-[(1S)-1-hydroxy-2-methylpropyl]-1-methyl-4-(methylideneamino)-3a,4,5,6-tetrahydro-3H-indole-2,7-dione
CID 135174542
1-(5-hydroxyhexyl)-3,4-dimethylpyrrolidine-2,5-dione
CID 79181459
(1R,4R,5S)-4-benzyl-1-[(1S)-1-hydroxy-2-methylpropyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 10589506
(3R,4S,5R)-5-[[tert-butyl(dimethyl)silyl]oxymethyl]-1,3,4-trimethyl-5-propan-2-ylpyrrolidin-2-one
CID 54130190
2-benzyl-1-(1-hydroxy-2-methylpropyl)-4-methyl-4-phenylperoxysulfanyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 20621363
(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carboxylic acid
CID 10977305
(4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 58610456
4-hydroxy-5-(1-hydroxyethyl)-3-methyloxolan-2-one
CID 13237842
3,4-dimethyl-1-propan-2-ylpyrrolidine-2,5-dione
CID 22957000

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The IUPAC name of 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (CID 20748942) is 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.
What is the SMILES notation for 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The canonical SMILES for 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is CC(C)C(O)C12C(=O)OC1C(C)C(=O)N2C.
What is the InChIKey of 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The InChIKey is WHVJRESBTLSKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4/c1-5(2)7(13)11-8(16-10(11)15)6(3)9(14)12(11)4/h5-8,13H,1-4H3.
What are the key properties of 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione has a molecular weight of 227.26 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is sourced from PubChem (CID 20748942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).