3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

C9H11NO3S — CID 67802661

IUPAC3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESCC(O)c1scc2c1CN(C(=O)O)C2
InChIInChI=1S/C9H11NO3S/c1-5(11)8-7-3-10(9(12)13)2-6(7)4-14-8/h4-5,11H,2-3H2,1H3,(H,12,13)
InChIKeyXYZKNFNMQZTTQQ-UHFFFAOYSA-N
MW213.26 g/mol
LogP1.79
Rot. Bonds1

About 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid

3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (PubChem CID 67802661) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
PubChem CID67802661
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid
SMILESCC(O)c1scc2c1CN(C(=O)O)C2
InChIInChI=1S/C9H11NO3S/c1-5(11)8-7-3-10(9(12)13)2-6(7)4-14-8/h4-5,11H,2-3H2,1H3,(H,12,13)
InChIKeyXYZKNFNMQZTTQQ-UHFFFAOYSA-N
XLogP1.79
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The IUPAC name of 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid (CID 67802661) is 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is CC(O)c1scc2c1CN(C(=O)O)C2.
What is the InChIKey of 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
The InChIKey is XYZKNFNMQZTTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c1-5(11)8-7-3-10(9(12)13)2-6(7)4-14-8/h4-5,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid?
3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid has a molecular weight of 213.26 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxyethyl)-4,6-dihydrothieno[3,4-c]pyrrole-5-carboxylic acid is sourced from PubChem (CID 67802661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).