trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid

C9H10O2S — CID 93299386

IUPACtrans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccsc1[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C9H10O2S/c1-5-2-3-12-8(5)6-4-7(6)9(10)11/h2-3,6-7H,4H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyINEMTYIXBMMJIJ-RNFRBKRXSA-N
MW182.24 g/mol
LogP2.24
Rot. Bonds2

About trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid

trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid (PubChem CID 93299386) has the molecular formula C9H10O2S and a molecular weight of 182.24 g/mol. Its IUPAC name is trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
PubChem CID93299386
Molecular FormulaC9H10O2S
Molecular Weight182.24 g/mol
Exact Mass182.04
IUPAC Nametrans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid
SMILESCc1ccsc1[C@@H]1C[C@H]1C(=O)O
InChIInChI=1S/C9H10O2S/c1-5-2-3-12-8(5)6-4-7(6)9(10)11/h2-3,6-7H,4H2,1H3,(H,10,11)/t6-,7-/m1/s1
InChIKeyINEMTYIXBMMJIJ-RNFRBKRXSA-N
XLogP2.24
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.24
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-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid (CID 93299386) is trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid is Cc1ccsc1[C@@H]1C[C@H]1C(=O)O.
What is the InChIKey of trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid?
The InChIKey is INEMTYIXBMMJIJ-RNFRBKRXSA-N. The full InChI is InChI=1S/C9H10O2S/c1-5-2-3-12-8(5)6-4-7(6)9(10)11/h2-3,6-7H,4H2,1H3,(H,10,11)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid?
trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid has a molecular weight of 182.24 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(3-methylthiophen-2-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 93299386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).