Salinosporamide H

C15H21NO4 — CID 22833281

IUPAC(1R,4S,5S)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-ethyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC[C@@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@H]([C@H]3CCCC=C3)O
InChIInChI=1S/C15H21NO4/c1-3-10-12(18)16-15(13(19)20-14(10,15)2)11(17)9-7-5-4-6-8-9/h5,7,9-11,17H,3-4,6,8H2,1-2H3,(H,16,18)/t9-,10-,11+,14+,15+/m1/s1
InChIKeySCJZQKFFYIGMCI-XWKQNIGYSA-N
MW279.33 g/mol
LogP1.80
Rot. Bonds3

About Salinosporamide H

Salinosporamide H (PubChem CID 22833281) has the molecular formula C15H21NO4 and a molecular weight of 279.33 g/mol. Its IUPAC name is (1R,4S,5S)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-ethyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.

Molecular Properties

Compound NameSalinosporamide H
PubChem CID22833281
Molecular FormulaC15H21NO4
Molecular Weight279.33 g/mol
Exact Mass279.15
IUPAC Name(1R,4S,5S)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-ethyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione
SMILESCC[C@@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@H]([C@H]3CCCC=C3)O
InChIInChI=1S/C15H21NO4/c1-3-10-12(18)16-15(13(19)20-14(10,15)2)11(17)9-7-5-4-6-8-9/h5,7,9-11,17H,3-4,6,8H2,1-2H3,(H,16,18)/t9-,10-,11+,14+,15+/m1/s1
InChIKeySCJZQKFFYIGMCI-XWKQNIGYSA-N
XLogP1.80
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity488

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(-)-Salinosporamide A
CID 11347535
Salinosporamide B
CID 11173518
Cinnabaramide A
CID 9862556
Cinnabaramide C
CID 9973253
methyl 3-[(2R,3S,4R)-2-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-ethyl-3-hydroxy-3-methyl-5-oxopyrrolidine-2-carbonyl]sulfanylpropanoate
CID 16109826
Fluorosalinosporamide
CID 24882226
Salinosporamide E
CID 11346897
Bromosalinosporamide
CID 11674853
Cinnabaramide B
CID 16109811
Cinnabaramide D
CID 16109812
Cinnabaramide E
CID 16109814
Salinosporamide D
CID 16118709

Frequently Asked Questions

What is the IUPAC name of Salinosporamide H?
The IUPAC name of Salinosporamide H (CID 22833281) is (1R,4S,5S)-1-[(S)-[(1S)-cyclohex-2-en-1-yl]-hydroxymethyl]-4-ethyl-5-methyl-6-oxa-2-azabicyclo[3.2.0]heptane-3,7-dione.
What is the SMILES notation for Salinosporamide H?
The canonical SMILES for Salinosporamide H is CC[C@@H]1C(=O)N[C@@]2([C@]1(OC2=O)C)[C@H]([C@H]3CCCC=C3)O.
What is the InChIKey of Salinosporamide H?
The InChIKey is SCJZQKFFYIGMCI-XWKQNIGYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-3-10-12(18)16-15(13(19)20-14(10,15)2)11(17)9-7-5-4-6-8-9/h5,7,9-11,17H,3-4,6,8H2,1-2H3,(H,16,18)/t9-,10-,11+,14+,15+/m1/s1.
What are the key properties of Salinosporamide H?
Salinosporamide H has a molecular weight of 279.33 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Salinosporamide H is sourced from PubChem (CID 22833281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).