trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid

C8H14O2 — CID 124539977

IUPACtrans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid
SMILESCC(C)(C)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C8H14O2/c1-8(2,3)6-4-5(6)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyJFJVSZSPJXVIHD-PHDIDXHHSA-N
MW142.20 g/mol
LogP1.75
Rot. Bonds1

About trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid

trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid (PubChem CID 124539977) has the molecular formula C8H14O2 and a molecular weight of 142.20 g/mol. Its IUPAC name is trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid
PubChem CID124539977
Molecular FormulaC8H14O2
Molecular Weight142.20 g/mol
Exact Mass142.10
IUPAC Nametrans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid
SMILESCC(C)(C)[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C8H14O2/c1-8(2,3)6-4-5(6)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6-/m1/s1
InChIKeyJFJVSZSPJXVIHD-PHDIDXHHSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.75
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-tert-butylcyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid (CID 124539977) is trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid is CC(C)(C)[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid?
The InChIKey is JFJVSZSPJXVIHD-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H14O2/c1-8(2,3)6-4-5(6)7(9)10/h5-6H,4H2,1-3H3,(H,9,10)/t5-,6-/m1/s1.
What are the key properties of trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-tert-butylcyclopropane-1-carboxylic acid has a molecular weight of 142.20 g/mol, XLogP of 1.75, 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-tert-butylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 124539977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).