1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid

C8H13NO4 — CID 118384399

IUPAC1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2CC(CO)(CO2)C1
InChIInChI=1S/C8H13NO4/c10-4-8-1-6(13-5-8)2-9(3-8)7(11)12/h6,10H,1-5H2,(H,11,12)
InChIKeyCPOSKCSRPBMWHJ-UHFFFAOYSA-N
MW187.19 g/mol
LogP-0.25
Rot. Bonds1

About 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid

1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid (PubChem CID 118384399) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid.

Molecular Properties

Compound Name1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
PubChem CID118384399
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
SMILESO=C(O)N1CC2CC(CO)(CO2)C1
InChIInChI=1S/C8H13NO4/c10-4-8-1-6(13-5-8)2-9(3-8)7(11)12/h6,10H,1-5H2,(H,11,12)
InChIKeyCPOSKCSRPBMWHJ-UHFFFAOYSA-N
XLogP-0.25
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-oxabicyclo[3.2.1]octan-1-ylmethanol
CID 15676003
5-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 150614566
2-oxabicyclo[2.2.2]octan-4-ylmethanol
CID 135392871
(1R,4R)-4-formyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
CID 174190714
(5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylic acid
CID 170168691
(3aR,6aS)-spiro[1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrole-5,2'-oxirane]-2-carboxylic acid
CID 118292011
2-(2-oxabicyclo[2.2.2]octan-4-yl)acetic acid
CID 146152422
(1S,5S)-1-carbamoyl-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 170163550
(2S)-2-tert-butyl-2-(hydroxymethyl)morpholine-4-carboxylic acid
CID 130362180
(4S,6S)-4-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-6-ol
CID 134970585
1-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 151585487
(2S)-2-[(1R)-1-(2-oxabicyclo[2.2.2]octan-4-ylmethoxy)ethyl]aziridine-1-carboxylic acid
CID 175981275

Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The IUPAC name of 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid (CID 118384399) is 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid.
What is the SMILES notation for 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The canonical SMILES for 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid is O=C(O)N1CC2CC(CO)(CO2)C1.
What is the InChIKey of 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
The InChIKey is CPOSKCSRPBMWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-4-8-1-6(13-5-8)2-9(3-8)7(11)12/h6,10H,1-5H2,(H,11,12).
What are the key properties of 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid?
1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid has a molecular weight of 187.19 g/mol, XLogP of -0.25, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-6-oxa-3-azabicyclo[3.2.1]octane-3-carboxylic acid is sourced from PubChem (CID 118384399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).