6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

C7H11NO3 — CID 90415558

IUPAC6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)N1CC2CC(O)C1C2
InChIInChI=1S/C7H11NO3/c9-6-2-4-1-5(6)8(3-4)7(10)11/h4-6,9H,1-3H2,(H,10,11)
InChIKeyJVRYNXFVLYZTAF-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.12
Rot. Bonds

About 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 90415558) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID90415558
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)N1CC2CC(O)C1C2
InChIInChI=1S/C7H11NO3/c9-6-2-4-1-5(6)8(3-4)7(10)11/h4-6,9H,1-3H2,(H,10,11)
InChIKeyJVRYNXFVLYZTAF-UHFFFAOYSA-N
XLogP0.12
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-2-methanidyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 88553663
(1R,4S,6S)-2-methyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669541
6-(5-chloropyrimidin-2-yl)oxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 152607660
(1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 139345707
6-[5-(trifluoromethyl)pyrazin-2-yl]oxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 90416346
6-[(5-methoxy-2-pyridinyl)amino]-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 150357745
2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
CID 66605152
(1R)-2,5-diazabicyclo[2.2.1]heptane-2,6-dicarboxylic acid
CID 68887875
(1R,4S,6S)-2-benzyl-2-azabicyclo[2.2.1]heptan-6-ol
CID 15669538
2-aminoaziridine-1-carboxylic acid
CID 154148433
(1R,4S)-2-azabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 25312617
(1R,3S,4R)-3-phenyl-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
CID 129115641

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 90415558) is 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)N1CC2CC(O)C1C2.
What is the InChIKey of 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is JVRYNXFVLYZTAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-2-4-1-5(6)8(3-4)7(10)11/h4-6,9H,1-3H2,(H,10,11).
What are the key properties of 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 157.17 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 90415558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).