methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate

C10H16O2 — CID 6427528

IUPACmethyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@]1(C)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H16O2/c1-10(9(11)12-2)6-7-3-4-8(10)5-7/h7-8H,3-6H2,1-2H3/t7-,8+,10+/m0/s1
InChIKeyAINYFZUYWPYGJW-QXFUBDJGSA-N
MW168.24 g/mol
LogP1.99
Rot. Bonds1

About methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate

methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 6427528) has the molecular formula C10H16O2 and a molecular weight of 168.24 g/mol. Its IUPAC name is methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
PubChem CID6427528
Molecular FormulaC10H16O2
Molecular Weight168.24 g/mol
Exact Mass168.12
IUPAC Namemethyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate
SMILESCOC(=O)[C@]1(C)C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C10H16O2/c1-10(9(11)12-2)6-7-3-4-8(10)5-7/h7-8H,3-6H2,1-2H3/t7-,8+,10+/m0/s1
InChIKeyAINYFZUYWPYGJW-QXFUBDJGSA-N
XLogP1.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S,2S,4R)-2-methyl-2-bicyclo[2.2.1]heptanyl]ethanone
CID 131122993
methyl (2-methyl-2-bicyclo[2.2.1]heptanyl) carbonate
CID 134309639
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309
methyl 2-ethylbicyclo[2.2.1]heptane-2-carboxylate
CID 174441667
(1S,2S,4R)-N-carbamoyl-2-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 21152855
2-[(2-methylbicyclo[2.2.1]heptane-2-carbonyl)amino]acetic acid
CID 166247680
methyl (3S,6R)-tricyclo[4.3.1.13,8]undecane-1-carboxylate
CID 102239853
(1S,5R)-3-methoxycarbonylbicyclo[3.2.1]octane-3-carboxylic acid
CID 165478572
(3-amino-4-fluorophenyl) 2-methylbicyclo[2.2.1]heptane-2-carboxylate
CID 138046435
1-O-methyl 4-O-(2-methyl-2-bicyclo[2.2.1]heptanyl) (E)-but-2-enedioate
CID 20700762
(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
dimethyl 1-methylcyclopropane-1,2-dicarboxylate
CID 574541

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate (CID 6427528) is methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate is COC(=O)[C@]1(C)C[C@H]2CC[C@@H]1C2.
What is the InChIKey of methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is AINYFZUYWPYGJW-QXFUBDJGSA-N. The full InChI is InChI=1S/C10H16O2/c1-10(9(11)12-2)6-7-3-4-8(10)5-7/h7-8H,3-6H2,1-2H3/t7-,8+,10+/m0/s1.
What are the key properties of methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate?
methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 168.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2R,4S)-2-methylbicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 6427528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).