(1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

C7H11NO3 — CID 139345707

IUPAC(1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)N1C[C@H]2C[C@@H]1C[C@H]2O
InChIInChI=1S/C7H11NO3/c9-6-2-5-1-4(6)3-8(5)7(10)11/h4-6,9H,1-3H2,(H,10,11)/t4-,5-,6-/m1/s1
InChIKeyXTBIJRWGZYWOCG-HSUXUTPPSA-N
MW157.17 g/mol
LogP0.12
Rot. Bonds

About (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid

(1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 139345707) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID139345707
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)N1C[C@H]2C[C@@H]1C[C@H]2O
InChIInChI=1S/C7H11NO3/c9-6-2-5-1-4(6)3-8(5)7(10)11/h4-6,9H,1-3H2,(H,10,11)/t4-,5-,6-/m1/s1
InChIKeyXTBIJRWGZYWOCG-HSUXUTPPSA-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

benzyl (1S,4S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 166058020
2-methylbutan-2-yl (1S,4S)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 167236979
(1S,4S,5S)-2-methyl-2-azabicyclo[2.2.1]heptan-5-ol
CID 139364909
(1S,4R)-5-methyl-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 150104051
6-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid
CID 90415558
(1S,2R,5R)-3-azabicyclo[3.1.0]hexane-2,3-dicarboxylic acid
CID 146225287
(1S,4S)-2-thia-5-azabicyclo[2.2.1]heptane-5-carboxylic acid
CID 126601340
5-cyano-2-azabicyclo[2.2.1]heptane-2-carboxamide
CID 130660787
(1S)-5-(2-methylpropanoyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 146571829
2-aminoaziridine-1-carboxylic acid
CID 154148433
(1S,4S)-5-(4-acetylphenyl)-2,5-diazabicyclo[2.2.1]heptane-2-carboxylic acid
CID 66877927
(3aS,6aR)-3-tert-butyl-5-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylic acid
CID 66669394

Frequently Asked Questions

What is the IUPAC name of (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 139345707) is (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)N1C[C@H]2C[C@@H]1C[C@H]2O.
What is the InChIKey of (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is XTBIJRWGZYWOCG-HSUXUTPPSA-N. The full InChI is InChI=1S/C7H11NO3/c9-6-2-5-1-4(6)3-8(5)7(10)11/h4-6,9H,1-3H2,(H,10,11)/t4-,5-,6-/m1/s1.
What are the key properties of (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,4R,5R)-5-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 (1R,4R,5R)-5-hydroxy-2-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 139345707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).