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

C10H15NO3 — CID 10584077

IUPAC(1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC(C)C[C@@]12NC(=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-MATHAZKKSA-N
MW197.23 g/mol
LogP0.46
Rot. Bonds2

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

(1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (PubChem CID 10584077) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is (1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.

Molecular Properties

Compound Name(1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
PubChem CID10584077
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name(1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC(C)C[C@@]12NC(=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-MATHAZKKSA-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'}

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Related Compounds

clasto-Lactacystin beta-lactone
CID 9794358
(1S,4R,5S)-1-[(1S)-1-Hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 15283415
PS-519
CID 9877196
(4R,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 15283414
1-(1-Hydroxy-2-methylpropyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 2779
(4s,5r)-1-(1-Hydroxy-2-methylpropyl)-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 188934
alpha-Methylomuralide
CID 10513481
(1S,4R,5R)-1-[(1R)-1-hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 15283417
beta-Clastolactacystin; beta-Lactacystin; Omuralide
CID 146157377
1-(1-Hydroxy-2-methylpropyl)-4-propyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 20728552
(1R,5S)-1-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-(trifluoromethyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 25024401
(1R,5R)-4,4-difluoro-1-[(1S)-1-hydroxy-2-methylpropyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 59712968

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The IUPAC name of (1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (CID 10584077) is (1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.
What is the SMILES notation for (1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The canonical SMILES for (1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is CC(C)C[C@@]12NC(=O)[C@H](C)[C@@H]1OC2=O.
What is the InChIKey of (1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The InChIKey is SLIVONUNVOOCCZ-MATHAZKKSA-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 (1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
(1R,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 (1R,4R,5S)-4-methyl-1-(2-methylpropyl)-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is sourced from PubChem (CID 10584077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).