4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid

C9H7NO5 — CID 12733404

IUPAC4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)Cn1c(C(=O)O)cc2occc21
InChIInChI=1S/C9H7NO5/c11-8(12)4-10-5-1-2-15-7(5)3-6(10)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyTXBJQLFAZVZNHX-UHFFFAOYSA-N
MW209.16 g/mol
LogP1.02
Rot. Bonds3

About 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid

4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 12733404) has the molecular formula C9H7NO5 and a molecular weight of 209.16 g/mol. Its IUPAC name is 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID12733404
Molecular FormulaC9H7NO5
Molecular Weight209.16 g/mol
Exact Mass209.03
IUPAC Name4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)Cn1c(C(=O)O)cc2occc21
InChIInChI=1S/C9H7NO5/c11-8(12)4-10-5-1-2-15-7(5)3-6(10)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14)
InChIKeyTXBJQLFAZVZNHX-UHFFFAOYSA-N
XLogP1.02
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.16
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid (CID 12733404) is 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid is O=C(O)Cn1c(C(=O)O)cc2occc21.
What is the InChIKey of 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is TXBJQLFAZVZNHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO5/c11-8(12)4-10-5-1-2-15-7(5)3-6(10)9(13)14/h1-3H,4H2,(H,11,12)(H,13,14).
What are the key properties of 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid?
4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 209.16 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethyl)furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 12733404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).