1-(carboxymethyl)benzo[g]indole-2-carboxylic acid

C15H11NO4 — CID 46398840

IUPAC1-(carboxymethyl)benzo[g]indole-2-carboxylic acid
SMILESO=C(O)Cn1c(C(=O)O)cc2ccc3ccccc3c21
InChIInChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyAKGLRHRNGGDMDM-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.58
Rot. Bonds3

About 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid

1-(carboxymethyl)benzo[g]indole-2-carboxylic acid (PubChem CID 46398840) has the molecular formula C15H11NO4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(carboxymethyl)benzo[g]indole-2-carboxylic acid
PubChem CID46398840
Molecular FormulaC15H11NO4
Molecular Weight269.26 g/mol
Exact Mass269.07
IUPAC Name1-(carboxymethyl)benzo[g]indole-2-carboxylic acid
SMILESO=C(O)Cn1c(C(=O)O)cc2ccc3ccccc3c21
InChIInChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20)
InChIKeyAKGLRHRNGGDMDM-UHFFFAOYSA-N
XLogP2.58
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid?
The IUPAC name of 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid (CID 46398840) is 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid.
What is the SMILES notation for 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid?
The canonical SMILES for 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid is O=C(O)Cn1c(C(=O)O)cc2ccc3ccccc3c21.
What is the InChIKey of 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid?
The InChIKey is AKGLRHRNGGDMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO4/c17-13(18)8-16-12(15(19)20)7-10-6-5-9-3-1-2-4-11(9)14(10)16/h1-7H,8H2,(H,17,18)(H,19,20).
What are the key properties of 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid?
1-(carboxymethyl)benzo[g]indole-2-carboxylic acid has a molecular weight of 269.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carboxymethyl)benzo[g]indole-2-carboxylic acid is sourced from PubChem (CID 46398840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).