(1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid

C10H14O4 — CID 98526129

IUPAC(1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C[C@@]1(C(=O)O)C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H14O4/c11-8(12)5-10(9(13)14)4-6-1-2-7(10)3-6/h6-7H,1-5H2,(H,11,12)(H,13,14)/t6-,7-,10+/m1/s1
InChIKeyRPVAPOZRUIDVRY-XSSZXYGBSA-N
MW198.22 g/mol
LogP1.35
Rot. Bonds3

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

(1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 98526129) has the molecular formula C10H14O4 and a molecular weight of 198.22 g/mol. Its IUPAC name is (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID98526129
Molecular FormulaC10H14O4
Molecular Weight198.22 g/mol
Exact Mass198.09
IUPAC Name(1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
SMILESO=C(O)C[C@@]1(C(=O)O)C[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H14O4/c11-8(12)5-10(9(13)14)4-6-1-2-7(10)3-6/h6-7H,1-5H2,(H,11,12)(H,13,14)/t6-,7-,10+/m1/s1
InChIKeyRPVAPOZRUIDVRY-XSSZXYGBSA-N
XLogP1.35
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid with MolForge

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Related Compounds

2-(2-fluoroethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 80695104
2-(cyclopentylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62739545
2-(cyclohexylmethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 55106818
(1S,2R,4S)-2-benzylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 98220074
2-nonylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 55185786
2-(cyclopropylmethoxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 106930023
(1S,2S,4S)-2-[(4-chlorophenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 98208525
2-[2-(2,2,2-trifluoroethoxy)ethyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62739889
2-(2-hydroxy-3-propan-2-yloxypropyl)bicyclo[2.2.1]heptane-2-carboxylic acid
CID 79425674
2-[(3-methylphenyl)methyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 62738506
(1S,2R,4S)-2-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 98050178
methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
CID 174441667

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid (CID 98526129) is (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is O=C(O)C[C@@]1(C(=O)O)C[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is RPVAPOZRUIDVRY-XSSZXYGBSA-N. The full InChI is InChI=1S/C10H14O4/c11-8(12)5-10(9(13)14)4-6-1-2-7(10)3-6/h6-7H,1-5H2,(H,11,12)(H,13,14)/t6-,7-,10+/m1/s1.
What are the key properties of (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 198.22 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4R)-2-(carboxymethyl)bicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 98526129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).