trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid

C7H12O2 — CID 13000109

IUPACtrans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid
SMILESC[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12O2/c1-5-3-2-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyYDUMDNFZGQAOJB-PHDIDXHHSA-N
MW128.17 g/mol
LogP1.51
Rot. Bonds1

About trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid

trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid (PubChem CID 13000109) has the molecular formula C7H12O2 and a molecular weight of 128.17 g/mol. Its IUPAC name is trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid
PubChem CID13000109
Molecular FormulaC7H12O2
Molecular Weight128.17 g/mol
Exact Mass128.08
IUPAC Nametrans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid
SMILESC[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C7H12O2/c1-5-3-2-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1
InChIKeyYDUMDNFZGQAOJB-PHDIDXHHSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid (CID 13000109) is trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid is C[C@@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid?
The InChIKey is YDUMDNFZGQAOJB-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H12O2/c1-5-3-2-4-6(5)7(8)9/h5-6H,2-4H2,1H3,(H,8,9)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid has a molecular weight of 128.17 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 13000109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).