(1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid

C9H12O5 — CID 98523903

IUPAC(1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1[C@@H]2C[C@@H]([C@@H]1C(=O)O)[C@@H](O)C2
InChIInChI=1S/C9H12O5/c10-5-2-3-1-4(5)7(9(13)14)6(3)8(11)12/h3-7,10H,1-2H2,(H,11,12)(H,13,14)/t3-,4-,5+,6-,7+/m1/s1
InChIKeyOAWFFCOYTQSIRL-ZFYZTMLRSA-N
MW200.19 g/mol
LogP-0.21
Rot. Bonds2

About (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid

(1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid (PubChem CID 98523903) has the molecular formula C9H12O5 and a molecular weight of 200.19 g/mol. Its IUPAC name is (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid.

Molecular Properties

Compound Name(1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
PubChem CID98523903
Molecular FormulaC9H12O5
Molecular Weight200.19 g/mol
Exact Mass200.07
IUPAC Name(1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
SMILESO=C(O)[C@@H]1[C@@H]2C[C@@H]([C@@H]1C(=O)O)[C@@H](O)C2
InChIInChI=1S/C9H12O5/c10-5-2-3-1-4(5)7(9(13)14)6(3)8(11)12/h3-7,10H,1-2H2,(H,11,12)(H,13,14)/t3-,4-,5+,6-,7+/m1/s1
InChIKeyOAWFFCOYTQSIRL-ZFYZTMLRSA-N
XLogP-0.21
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2R,3S,4R,5R)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 130754555
(2S,3R,5R)-bicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid;(2S,3R,5S)-bicyclo[2.2.1]heptane-2,3,5-tricarboxylic acid
CID 157305496
5-methylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 23130233
(1S,3R,6R)-tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
CID 55300462
(1S,3R,5S,6R)-tricyclo[3.2.1.03,6]octane-2-carboxylic acid
CID 131034566
5-sulfobicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 86218903
(1S,4R)-bicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 22821221
3-hydroxybicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 140586637
4-hydroxybicyclo[1.1.1]pentane-2-carboxylic acid
CID 171036181
(1S,2R,3S,4S,5S,7S)-4-hydroxyadamantane-2-carboxylic acid
CID 100872241
(1R,2S,3R,4S,5S,6S)-5,6-dibromobicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 124871709
(1R,2R,3S,4R,5S,6S)-5,6-dibromobicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 124769571

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The IUPAC name of (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid (CID 98523903) is (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid.
What is the SMILES notation for (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The canonical SMILES for (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid is O=C(O)[C@@H]1[C@@H]2C[C@@H]([C@@H]1C(=O)O)[C@@H](O)C2.
What is the InChIKey of (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
The InChIKey is OAWFFCOYTQSIRL-ZFYZTMLRSA-N. The full InChI is InChI=1S/C9H12O5/c10-5-2-3-1-4(5)7(9(13)14)6(3)8(11)12/h3-7,10H,1-2H2,(H,11,12)(H,13,14)/t3-,4-,5+,6-,7+/m1/s1.
What are the key properties of (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid?
(1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid has a molecular weight of 200.19 g/mol, XLogP of -0.21, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4S,5S)-5-hydroxybicyclo[2.2.1]heptane-2,3-dicarboxylic acid is sourced from PubChem (CID 98523903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).