(2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid

C14H12O3S — CID 688581

IUPAC(2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/t9-/m1/s1
InChIKeyMDKGKXOCJGEUJW-SECBINFHSA-N
MW260.31 g/mol
LogP3.17
Rot. Bonds4

About (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid

(2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid (PubChem CID 688581) has the molecular formula C14H12O3S and a molecular weight of 260.31 g/mol. Its IUPAC name is (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
PubChem CID688581
Molecular FormulaC14H12O3S
Molecular Weight260.31 g/mol
Exact Mass260.05
IUPAC Name(2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid
SMILESC[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/t9-/m1/s1
InChIKeyMDKGKXOCJGEUJW-SECBINFHSA-N
XLogP3.17
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid?
The IUPAC name of (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid (CID 688581) is (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid.
What is the SMILES notation for (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid?
The canonical SMILES for (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid is C[C@@H](C(=O)O)c1ccc(C(=O)c2cccs2)cc1.
What is the InChIKey of (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid?
The InChIKey is MDKGKXOCJGEUJW-SECBINFHSA-N. The full InChI is InChI=1S/C14H12O3S/c1-9(14(16)17)10-4-6-11(7-5-10)13(15)12-3-2-8-18-12/h2-9H,1H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid?
(2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid has a molecular weight of 260.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-(thiophene-2-carbonyl)phenyl]propanoic acid is sourced from PubChem (CID 688581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).