2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid

C14H8N2O8 — CID 2053751

IUPAC2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c2cc3c(=O)n(CC(=O)O)c(=O)c3cc2c1=O
InChIInChI=1S/C14H8N2O8/c17-9(18)3-15-11(21)5-1-6-8(2-7(5)13(15)23)14(24)16(12(6)22)4-10(19)20/h1-2H,3-4H2,(H,17,18)(H,19,20)
InChIKeyLSPZLZHCMOLECK-UHFFFAOYSA-N
MW332.22 g/mol
LogP-1.92
Rot. Bonds4

About 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid

2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid (PubChem CID 2053751) has the molecular formula C14H8N2O8 and a molecular weight of 332.22 g/mol. Its IUPAC name is 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid
PubChem CID2053751
Molecular FormulaC14H8N2O8
Molecular Weight332.22 g/mol
Exact Mass332.03
IUPAC Name2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid
SMILESO=C(O)Cn1c(=O)c2cc3c(=O)n(CC(=O)O)c(=O)c3cc2c1=O
InChIInChI=1S/C14H8N2O8/c17-9(18)3-15-11(21)5-1-6-8(2-7(5)13(15)23)14(24)16(12(6)22)4-10(19)20/h1-2H,3-4H2,(H,17,18)(H,19,20)
InChIKeyLSPZLZHCMOLECK-UHFFFAOYSA-N
XLogP-1.92
TPSA152.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.22
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid?
The IUPAC name of 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid (CID 2053751) is 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid.
What is the SMILES notation for 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid?
The canonical SMILES for 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid is O=C(O)Cn1c(=O)c2cc3c(=O)n(CC(=O)O)c(=O)c3cc2c1=O.
What is the InChIKey of 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid?
The InChIKey is LSPZLZHCMOLECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8N2O8/c17-9(18)3-15-11(21)5-1-6-8(2-7(5)13(15)23)14(24)16(12(6)22)4-10(19)20/h1-2H,3-4H2,(H,17,18)(H,19,20).
What are the key properties of 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid?
2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid has a molecular weight of 332.22 g/mol, XLogP of -1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(carboxymethyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]acetic acid is sourced from PubChem (CID 2053751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).