1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

C15H22FNO4 — CID 11507673

IUPAC1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC12OC(=O)C1(C(O)C1CCCCC1)NC(=O)C2CCF
InChIInChI=1S/C15H22FNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h9-11,18H,2-8H2,1H3,(H,17,19)
InChIKeyFABHSLZMFPHNPF-UHFFFAOYSA-N
MW299.34 g/mol
LogP1.09
Rot. Bonds4

About 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione

1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (PubChem CID 11507673) has the molecular formula C15H22FNO4 and a molecular weight of 299.34 g/mol. Its IUPAC name is 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.

Molecular Properties

Compound Name1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
PubChem CID11507673
Molecular FormulaC15H22FNO4
Molecular Weight299.34 g/mol
Exact Mass299.15
IUPAC Name1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC12OC(=O)C1(C(O)C1CCCCC1)NC(=O)C2CCF
InChIInChI=1S/C15H22FNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h9-11,18H,2-8H2,1H3,(H,17,19)
InChIKeyFABHSLZMFPHNPF-UHFFFAOYSA-N
XLogP1.09
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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
Salinosporamide B
CID 11173518
(1S,4R,5S)-1-[(1S)-1-Hydroxy-2-methylpropyl]-4-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 15283415
Antiprotealide
CID 11173422
Fluorosalinosporamide
CID 24882226
Salinosporamide D
CID 16118709
(1R,4R,5S)-4-(2-chloroethyl)-1-[(S)-cyclohexyl(hydroxy)methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 11243977
(1R,4R,5S)-4-(2-chloroethyl)-1-[(S)-cyclopentyl(hydroxy)methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 24863271
Salinosporamide X6
CID 44475406
Salinosporamide X3
CID 44475407
Salinosporamide X5
CID 44475408
(1R,4R,5S)-4-(3-chloropropyl)-1-[(S)-cyclohexyl(hydroxy)methyl]-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
CID 72724741

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The IUPAC name of 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione (CID 11507673) is 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.
What is the SMILES notation for 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The canonical SMILES for 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is CC12OC(=O)C1(C(O)C1CCCCC1)NC(=O)C2CCF.
What is the InChIKey of 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
The InChIKey is FABHSLZMFPHNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO4/c1-14-10(7-8-16)12(19)17-15(14,13(20)21-14)11(18)9-5-3-2-4-6-9/h9-11,18H,2-8H2,1H3,(H,17,19).
What are the key properties of 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione?
1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione has a molecular weight of 299.34 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(hydroxy)methyl]-4-(2-fluoroethyl)-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione is sourced from PubChem (CID 11507673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).