(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid

C7H11NO3 — CID 68914815

IUPAC(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C7H11NO3/c9-7(10)8-3-5-1-2-6(4-8)11-5/h5-6H,1-4H2,(H,9,10)/t5-,6+
InChIKeySLGPCOYRMXKDQT-OLQVQODUSA-N
MW157.17 g/mol
LogP0.53
Rot. Bonds

About (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid

(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 68914815) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID68914815
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1C[C@H]2CC[C@@H](C1)O2
InChIInChI=1S/C7H11NO3/c9-7(10)8-3-5-1-2-6(4-8)11-5/h5-6H,1-4H2,(H,9,10)/t5-,6+
InChIKeySLGPCOYRMXKDQT-OLQVQODUSA-N
XLogP0.53
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(8-oxa-3-aZabicyclo[3.2.1]octan-3-yl)ethan-1-ol
CID 66370951
2,2,2-Trifluoroethyl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 66370922
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanone
CID 21544569
1-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-one
CID 21544575
8-Oxa-3-azabicyclo[3.2.1]octane-3-carbaldehyde
CID 21925217
4-(Oxolan-2-ylmethyl)piperazine-1-carboxylic acid
CID 22047872
Ethyl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 66370918
Tert-butyl 8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
CID 66370921
2-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)acetic acid
CID 66391932
[(5R)-7-oxo-6-oxa-1-azabicyclo[3.2.1]octan-2-yl] hydrogen carbonate
CID 68628466
8-Oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 69490988
8-Oxa-3-azabicyclo[3.2.1]octane-3-carbonyl chloride
CID 79887260

Frequently Asked Questions

What is the IUPAC name of (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 68914815) is (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid is O=C(O)N1C[C@H]2CC[C@@H](C1)O2.
What is the InChIKey of (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is SLGPCOYRMXKDQT-OLQVQODUSA-N. The full InChI is InChI=1S/C7H11NO3/c9-7(10)8-3-5-1-2-6(4-8)11-5/h5-6H,1-4H2,(H,9,10)/t5-,6+.
What are the key properties of (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
(1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 68914815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).