ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate

C10H15NO4 — CID 135040506

IUPACethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate
SMILESCCOC(=O)C1CC[C@H]2C[C@H]1NC(=O)O2
InChIInChI=1S/C10H15NO4/c1-2-14-9(12)7-4-3-6-5-8(7)11-10(13)15-6/h6-8H,2-5H2,1H3,(H,11,13)/t6-,7?,8+/m0/s1
InChIKeyHSZZDVGJVBQHTK-YPVSKDHRSA-N
MW213.23 g/mol
LogP0.83
Rot. Bonds2

About ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate

ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate (PubChem CID 135040506) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate.

Molecular Properties

Compound Nameethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate
PubChem CID135040506
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nameethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate
SMILESCCOC(=O)C1CC[C@H]2C[C@H]1NC(=O)O2
InChIInChI=1S/C10H15NO4/c1-2-14-9(12)7-4-3-6-5-8(7)11-10(13)15-6/h6-8H,2-5H2,1H3,(H,11,13)/t6-,7?,8+/m0/s1
InChIKeyHSZZDVGJVBQHTK-YPVSKDHRSA-N
XLogP0.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl (3aS,5R,6R,7R,7aS)-6-hydroxy-2-oxo-7-pentan-3-yloxy-3a,4,5,6,7,7a-hexahydro-3H-1,3-benzoxazole-5-carboxylate
CID 11162845
ethyl (4S,5R)-5-methyl-2-oxo-1,3-oxazolidine-4-carboxylate
CID 131104163
diethyl 5-oxopyrrolidine-2,3-dicarboxylate
CID 45272996
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
2-ethoxycarbonylcyclobutane-1-carboxylic acid
CID 19889622
cis-ethyl (1R,2S)-2-acetylcyclobutane-1-carboxylate
CID 165354551
diethyl (3R,4R)-6-oxopiperidine-3,4-dicarboxylate
CID 14201946
diethyl (3S,4S)-6-oxopiperidine-3,4-dicarboxylate
CID 101129718
ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate
CID 130007839
ethyl (2R,3R)-2-methyl-5-oxooxolane-3-carboxylate
CID 101339914
ethyl 2-aminocyclopropane-1-carboxylate
CID 53488445
diethyl cyclopentane-1,3-dicarboxylate
CID 66930159

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate?
The IUPAC name of ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate (CID 135040506) is ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate.
What is the SMILES notation for ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate?
The canonical SMILES for ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate is CCOC(=O)C1CC[C@H]2C[C@H]1NC(=O)O2.
What is the InChIKey of ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate?
The InChIKey is HSZZDVGJVBQHTK-YPVSKDHRSA-N. The full InChI is InChI=1S/C10H15NO4/c1-2-14-9(12)7-4-3-6-5-8(7)11-10(13)15-6/h6-8H,2-5H2,1H3,(H,11,13)/t6-,7?,8+/m0/s1.
What are the key properties of ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate?
ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate has a molecular weight of 213.23 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,5R)-3-oxo-2-oxa-4-azabicyclo[3.3.1]nonane-6-carboxylate is sourced from PubChem (CID 135040506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).