(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

C7H10O3 — CID 68570977

IUPAC(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C[C@@H]2CC[C@H]1O2
InChIInChI=1S/C7H10O3/c8-7(9)5-3-4-1-2-6(5)10-4/h4-6H,1-3H2,(H,8,9)/t4-,5?,6+/m0/s1
InChIKeyUYLYISCHTFVYHN-NOWQFEBASA-N
MW142.15 g/mol
LogP0.64
Rot. Bonds1

About (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid

(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 68570977) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID68570977
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C1C[C@@H]2CC[C@H]1O2
InChIInChI=1S/C7H10O3/c8-7(9)5-3-4-1-2-6(5)10-4/h4-6H,1-3H2,(H,8,9)/t4-,5?,6+/m0/s1
InChIKeyUYLYISCHTFVYHN-NOWQFEBASA-N
XLogP0.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid (CID 68570977) is (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C1C[C@@H]2CC[C@H]1O2.
What is the InChIKey of (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is UYLYISCHTFVYHN-NOWQFEBASA-N. The full InChI is InChI=1S/C7H10O3/c8-7(9)5-3-4-1-2-6(5)10-4/h4-6H,1-3H2,(H,8,9)/t4-,5?,6+/m0/s1.
What are the key properties of (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 142.15 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 68570977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).