trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid

C12H14O3 — CID 124709244

IUPACtrans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid
SMILESC[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)O)o1
InChIInChI=1S/C12H14O3/c1-6-4-7(6)10-2-3-11(15-10)8-5-9(8)12(13)14/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t6-,7+,8-,9-/m1/s1
InChIKeyIHYYDFPEYUTJFS-BZNPZCIMSA-N
MW206.24 g/mol
LogP2.59
Rot. Bonds3

About trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid (PubChem CID 124709244) has the molecular formula C12H14O3 and a molecular weight of 206.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid
PubChem CID124709244
Molecular FormulaC12H14O3
Molecular Weight206.24 g/mol
Exact Mass206.09
IUPAC Nametrans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid
SMILESC[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)O)o1
InChIInChI=1S/C12H14O3/c1-6-4-7(6)10-2-3-11(15-10)8-5-9(8)12(13)14/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t6-,7+,8-,9-/m1/s1
InChIKeyIHYYDFPEYUTJFS-BZNPZCIMSA-N
XLogP2.59
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid (CID 124709244) is trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid is C[C@@H]1C[C@@H]1c1ccc([C@@H]2C[C@H]2C(=O)O)o1.
What is the InChIKey of trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid?
The InChIKey is IHYYDFPEYUTJFS-BZNPZCIMSA-N. The full InChI is InChI=1S/C12H14O3/c1-6-4-7(6)10-2-3-11(15-10)8-5-9(8)12(13)14/h2-3,6-9H,4-5H2,1H3,(H,13,14)/t6-,7+,8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid has a molecular weight of 206.24 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 124709244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).