trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid

C9H14O3 — CID 54436723

IUPACtrans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid
SMILESC=CC(O)[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H14O3/c1-2-8(10)6-4-3-5-7(6)9(11)12/h2,6-8,10H,1,3-5H2,(H,11,12)/t6-,7-,8?/m1/s1
InChIKeyWLGGHBQPWGTFRH-GCJDJSOWSA-N
MW170.21 g/mol
LogP1.03
Rot. Bonds3

About trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid

trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid (PubChem CID 54436723) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid
PubChem CID54436723
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Nametrans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid
SMILESC=CC(O)[C@@H]1CCC[C@H]1C(=O)O
InChIInChI=1S/C9H14O3/c1-2-8(10)6-4-3-5-7(6)9(11)12/h2,6-8,10H,1,3-5H2,(H,11,12)/t6-,7-,8?/m1/s1
InChIKeyWLGGHBQPWGTFRH-GCJDJSOWSA-N
XLogP1.03
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid (CID 54436723) is trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid is C=CC(O)[C@@H]1CCC[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid?
The InChIKey is WLGGHBQPWGTFRH-GCJDJSOWSA-N. The full InChI is InChI=1S/C9H14O3/c1-2-8(10)6-4-3-5-7(6)9(11)12/h2,6-8,10H,1,3-5H2,(H,11,12)/t6-,7-,8?/m1/s1.
What are the key properties of trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid?
trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid has a molecular weight of 170.21 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(1-hydroxyprop-2-enyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 54436723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).