(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid

C9H14O2 — CID 130765151

IUPAC(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESC[C@H]1[C@@H]2CC[C@H](C2)[C@H]1C(=O)O
InChIInChI=1S/C9H14O2/c1-5-6-2-3-7(4-6)8(5)9(10)11/h5-8H,2-4H2,1H3,(H,10,11)/t5-,6+,7+,8-/m0/s1
InChIKeyYZBOGUZXKOTDJI-OSMVPFSASA-N
MW154.21 g/mol
LogP1.75
Rot. Bonds1

About (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid

(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 130765151) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID130765151
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESC[C@H]1[C@@H]2CC[C@H](C2)[C@H]1C(=O)O
InChIInChI=1S/C9H14O2/c1-5-6-2-3-7(4-6)8(5)9(10)11/h5-8H,2-4H2,1H3,(H,10,11)/t5-,6+,7+,8-/m0/s1
InChIKeyYZBOGUZXKOTDJI-OSMVPFSASA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 130765151) is (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid is C[C@H]1[C@@H]2CC[C@H](C2)[C@H]1C(=O)O.
What is the InChIKey of (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is YZBOGUZXKOTDJI-OSMVPFSASA-N. The full InChI is InChI=1S/C9H14O2/c1-5-6-2-3-7(4-6)8(5)9(10)11/h5-8H,2-4H2,1H3,(H,10,11)/t5-,6+,7+,8-/m0/s1.
What are the key properties of (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R)-3-methylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 130765151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).