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

C9H14O2 — CID 98523902

IUPAC(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESC[C@]12CC[C@@H](C[C@@H]1C(=O)O)C2
InChIInChI=1S/C9H14O2/c1-9-3-2-6(5-9)4-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+,9+/m0/s1
InChIKeyVHPFNGCHDYWUHV-LKEWCRSYSA-N
MW154.21 g/mol
LogP1.90
Rot. Bonds1

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

(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 98523902) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is (1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID98523902
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid
SMILESC[C@]12CC[C@@H](C[C@@H]1C(=O)O)C2
InChIInChI=1S/C9H14O2/c1-9-3-2-6(5-9)4-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+,9+/m0/s1
InChIKeyVHPFNGCHDYWUHV-LKEWCRSYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethenylbicyclo[2.2.1]heptane-2-carboxylic acid
CID 70545020
1-bromobicyclo[2.2.1]heptane-2-carboxylic acid
CID 155784715
[(1S,5S,6R)-5-methyl-6-bicyclo[3.2.1]octanyl]-phenylmethanone
CID 101482715
CID 155657955
CID 155657955
(1R,2R,5R,6R)-2-hydroxy-1,5-dimethylbicyclo[3.2.1]octane-6-carboxylic acid
CID 131115230
2,2-dimethylcyclopentane-1,3-dicarboxylic acid
CID 5315650
trans-(1S,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915452
cis-(1R,2S)-2-cyclopropyl-2-methylcyclopropane-1-carboxylic acid
CID 915450
benzene;2,2-dimethylcyclopropane-1-carboxylic acid
CID 144977859
4,4-dimethylpiperidine-3-carboxylic acid
CID 83669924
1-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
CID 150227987
(1-methyl-2-bicyclo[2.2.1]heptanyl) 2-(3-oxabicyclo[3.1.0]hexan-6-yl)prop-2-enoate
CID 59702400

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of (1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid (CID 98523902) is (1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for (1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for (1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid is C[C@]12CC[C@@H](C[C@@H]1C(=O)O)C2.
What is the InChIKey of (1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is VHPFNGCHDYWUHV-LKEWCRSYSA-N. The full InChI is InChI=1S/C9H14O2/c1-9-3-2-6(5-9)4-7(9)8(10)11/h6-7H,2-5H2,1H3,(H,10,11)/t6-,7+,9+/m0/s1.
What are the key properties of (1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid?
(1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 154.21 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-1-methylbicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 98523902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).