trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid

C5H8O3 — CID 10654204

IUPACtrans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1CO
InChIInChI=1S/C5H8O3/c6-2-3-1-4(3)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyQAKGVPAQOZSDOZ-IMJSIDKUSA-N
MW116.12 g/mol
LogP-0.30
Rot. Bonds2

About trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid

trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid (PubChem CID 10654204) has the molecular formula C5H8O3 and a molecular weight of 116.12 g/mol. Its IUPAC name is trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
PubChem CID10654204
Molecular FormulaC5H8O3
Molecular Weight116.12 g/mol
Exact Mass116.05
IUPAC Nametrans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)[C@H]1C[C@H]1CO
InChIInChI=1S/C5H8O3/c6-2-3-1-4(3)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4-/m0/s1
InChIKeyQAKGVPAQOZSDOZ-IMJSIDKUSA-N
XLogP-0.30
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid (CID 10654204) is trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid is O=C(O)[C@H]1C[C@H]1CO.
What is the InChIKey of trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid?
The InChIKey is QAKGVPAQOZSDOZ-IMJSIDKUSA-N. The full InChI is InChI=1S/C5H8O3/c6-2-3-1-4(3)5(7)8/h3-4,6H,1-2H2,(H,7,8)/t3-,4-/m0/s1.
What are the key properties of trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid?
trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid has a molecular weight of 116.12 g/mol, XLogP of -0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-(hydroxymethyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 10654204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).