(2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid

C10H12O3S — CID 124710618

IUPAC(2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@H]1OCCc2sccc21
InChIInChI=1S/C10H12O3S/c1-6(10(11)12)9-7-3-5-14-8(7)2-4-13-9/h3,5-6,9H,2,4H2,1H3,(H,11,12)/t6-,9-/m1/s1
InChIKeyXNJKFVMZPSGMFR-HZGVNTEJSA-N
MW212.27 g/mol
LogP2.08
Rot. Bonds2

About (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid

(2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid (PubChem CID 124710618) has the molecular formula C10H12O3S and a molecular weight of 212.27 g/mol. Its IUPAC name is (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid
PubChem CID124710618
Molecular FormulaC10H12O3S
Molecular Weight212.27 g/mol
Exact Mass212.05
IUPAC Name(2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid
SMILESC[C@@H](C(=O)O)[C@H]1OCCc2sccc21
InChIInChI=1S/C10H12O3S/c1-6(10(11)12)9-7-3-5-14-8(7)2-4-13-9/h3,5-6,9H,2,4H2,1H3,(H,11,12)/t6-,9-/m1/s1
InChIKeyXNJKFVMZPSGMFR-HZGVNTEJSA-N
XLogP2.08
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid with MolForge

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Related Compounds

1-[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]-2-methylpropan-1-amine
CID 138602793
acetic acid;4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyran
CID 21423152
methyl (E)-4-[2-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)propanoylamino]but-2-enoate
CID 146141879
4-[[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylamino]methyl]benzoic acid
CID 122034712
3-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylcarbamoylamino]propanoic acid
CID 122015221
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethylcarbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122015232
N-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-ylmethyl)-N-methylprop-2-enamide
CID 136572491
1-cyclopropyl-3-[[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-1-[(1R)-1-(furan-2-yl)ethyl]urea
CID 97048851
N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(methylsulfanylmethyl)pyridine-2-carboxamide
CID 146088238
1-[[(4S)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]methyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 96527607
1-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-3-(5-methyl-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-7-yl)urea
CID 128618235
N-[1-(6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl)ethyl]-2-(oxolan-3-yloxy)pyridine-4-carboxamide
CID 126802462

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid?
The IUPAC name of (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid (CID 124710618) is (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid.
What is the SMILES notation for (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid?
The canonical SMILES for (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid is C[C@@H](C(=O)O)[C@H]1OCCc2sccc21.
What is the InChIKey of (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid?
The InChIKey is XNJKFVMZPSGMFR-HZGVNTEJSA-N. The full InChI is InChI=1S/C10H12O3S/c1-6(10(11)12)9-7-3-5-14-8(7)2-4-13-9/h3,5-6,9H,2,4H2,1H3,(H,11,12)/t6-,9-/m1/s1.
What are the key properties of (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid?
(2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid has a molecular weight of 212.27 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4R)-6,7-dihydro-4H-thieno[3,2-c]pyran-4-yl]propanoic acid is sourced from PubChem (CID 124710618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).