2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid

C18H17NO4 — CID 872330

IUPAC2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid
SMILESCCn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H17NO4/c1-2-19-15-5-3-11(9-17(20)21)7-13(15)14-8-12(10-18(22)23)4-6-16(14)19/h3-8H,2,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeySPUIFQHIGRNTFJ-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.07
Rot. Bonds5

About 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid

2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid (PubChem CID 872330) has the molecular formula C18H17NO4 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid
PubChem CID872330
Molecular FormulaC18H17NO4
Molecular Weight311.34 g/mol
Exact Mass311.12
IUPAC Name2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid
SMILESCCn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21
InChIInChI=1S/C18H17NO4/c1-2-19-15-5-3-11(9-17(20)21)7-13(15)14-8-12(10-18(22)23)4-6-16(14)19/h3-8H,2,9-10H2,1H3,(H,20,21)(H,22,23)
InChIKeySPUIFQHIGRNTFJ-UHFFFAOYSA-N
XLogP3.07
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Carbazole Butanoic Acid
CID 448769
3-(9H-carbazol-9-yl)propanoic acid
CID 219301
2-(1-methyl-1H-indol-3-yl)acetic acid
CID 254166
1-benzyl-2,3-dimethyl-1H-indole-5-carboxylic acid
CID 563822
9-benzyl-2,3,4,9-tetrahydro-1H-carbazole-8-carboxylic acid
CID 10017976
3-(2-Phenyl-1H-indol-1-yl)propanoic acid
CID 803793
3-(1-methyl-1H-indol-3-yl)propanoic acid
CID 344600
2-[1-(4-fluorobenzyl)-1H-indol-3-yl]acetic acid
CID 2774436
3-Methyl-2-(3-pyridyl)-1-indoleoctanoic acid
CID 119553
5-Carbazol-9-yl-pentanoic acid
CID 28971834
3-(5-Cyclopropyl-2,3-Diphenyl-1h-Indol-1-Yl)propanoic Acid
CID 72695132
3-[2-(2,5-dimethylphenyl)-1H-indol-5-yl]propanoic acid
CID 142738582

Frequently Asked Questions

What is the IUPAC name of 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid?
The IUPAC name of 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid (CID 872330) is 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid.
What is the SMILES notation for 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid?
The canonical SMILES for 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid is CCn1c2ccc(CC(=O)O)cc2c2cc(CC(=O)O)ccc21.
What is the InChIKey of 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid?
The InChIKey is SPUIFQHIGRNTFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO4/c1-2-19-15-5-3-11(9-17(20)21)7-13(15)14-8-12(10-18(22)23)4-6-16(14)19/h3-8H,2,9-10H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid?
2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid has a molecular weight of 311.34 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(carboxymethyl)-9-ethylcarbazol-3-yl]acetic acid is sourced from PubChem (CID 872330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).