4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid

C14H13NO4 — CID 83948271

IUPAC4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid
SMILESO=C(O)Cn1c2c(c3cccc(C(=O)O)c31)CCC2
InChIInChI=1S/C14H13NO4/c16-12(17)7-15-11-6-2-3-8(11)9-4-1-5-10(13(9)15)14(18)19/h1,4-5H,2-3,6-7H2,(H,16,17)(H,18,19)
InChIKeyWSJYMQNLLDZLJV-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.91
Rot. Bonds3

About 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid

4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid (PubChem CID 83948271) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid.

Molecular Properties

Compound Name4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid
PubChem CID83948271
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid
SMILESO=C(O)Cn1c2c(c3cccc(C(=O)O)c31)CCC2
InChIInChI=1S/C14H13NO4/c16-12(17)7-15-11-6-2-3-8(11)9-4-1-5-10(13(9)15)14(18)19/h1,4-5H,2-3,6-7H2,(H,16,17)(H,18,19)
InChIKeyWSJYMQNLLDZLJV-UHFFFAOYSA-N
XLogP1.91
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid?
The IUPAC name of 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid (CID 83948271) is 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid.
What is the SMILES notation for 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid?
The canonical SMILES for 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid is O=C(O)Cn1c2c(c3cccc(C(=O)O)c31)CCC2.
What is the InChIKey of 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid?
The InChIKey is WSJYMQNLLDZLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c16-12(17)7-15-11-6-2-3-8(11)9-4-1-5-10(13(9)15)14(18)19/h1,4-5H,2-3,6-7H2,(H,16,17)(H,18,19).
What are the key properties of 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid?
4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid has a molecular weight of 259.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(carboxymethyl)-2,3-dihydro-1H-cyclopenta[b]indole-5-carboxylic acid is sourced from PubChem (CID 83948271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).