(4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

C10H15NO3 — CID 58610456

IUPAC(4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC(C)CC12NC(=O)[C@H](C)[C@@H]1OC2=O
InChIInChI=1S/C10H15NO3/c1-5(2)4-10-7(14-9(10)13)6(3)8(12)11-10/h5-7H,4H2,1-3H3,(H,11,12)/t6-,7+,10?/m1/s1
InChIKeySLIVONUNVOOCCZ-MZVBAPTMSA-N
MW197.23 g/mol
LogP0.46
Rot. Bonds2

About (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

(4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (PubChem CID 58610456) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.

Molecular Properties

Compound Name(4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
PubChem CID58610456
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC(C)CC12NC(=O)[C@H](C)[C@@H]1OC2=O
InChIInChI=1S/C10H15NO3/c1-5(2)4-10-7(14-9(10)13)6(3)8(12)11-10/h5-7H,4H2,1-3H3,(H,11,12)/t6-,7+,10?/m1/s1
InChIKeySLIVONUNVOOCCZ-MZVBAPTMSA-N
XLogP0.46
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione with MolForge

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Related Compounds

diiodovanadium;(1R,4R,5S)-1-(1-hydroxyethyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 158193630
2,4-dimethyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 20748956
(1S,4R,5S)-4-methyl-1-(2-methylprop-1-enyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 100960415
3-methyl-4,4-bis(2-methylpropyl)piperidine-2,6-dione
CID 114867239
(1R,4R,5S)-4-benzyl-1-[(1S)-1-hydroxy-2-methylpropyl]-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 10589506
5-(2-methylpropyl)-5-propan-2-ylmorpholin-3-one
CID 58238921
3,4-dimethylpyrrolidine-2,5-dione
CID 3550866
(3R,4R)-5,5-diethyl-3,4-dimethylpyrrolidin-2-one
CID 170253196
5-(4-methylpentan-2-yl)-1,3-oxazolidine-2,4-dione
CID 130491226
(3R)-3-methyl-3-(2-methylpropyl)oxolane-2,5-dione
CID 94840979
5-hydroxy-5-(2-methylpropyl)imidazolidine-2,4-dione
CID 19847219
1-(1-hydroxy-2-methylpropyl)-2,4-dimethyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 20748942

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The IUPAC name of (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (CID 58610456) is (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.
What is the SMILES notation for (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The canonical SMILES for (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is CC(C)CC12NC(=O)[C@H](C)[C@@H]1OC2=O.
What is the InChIKey of (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The InChIKey is SLIVONUNVOOCCZ-MZVBAPTMSA-N. The full InChI is InChI=1S/C10H15NO3/c1-5(2)4-10-7(14-9(10)13)6(3)8(12)11-10/h5-7H,4H2,1-3H3,(H,11,12)/t6-,7+,10?/m1/s1.
What are the key properties of (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
(4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione has a molecular weight of 197.23 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is sourced from PubChem (CID 58610456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).