1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid

C19H13NO4 — CID 134416470

IUPAC1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid
SMILESO=C(O)C1=CCc2ccc(-n3c(C(=O)O)cc4ccccc43)cc21
InChIInChI=1S/C19H13NO4/c21-18(22)14-8-6-11-5-7-13(10-15(11)14)20-16-4-2-1-3-12(16)9-17(20)19(23)24/h1-5,7-10H,6H2,(H,21,22)(H,23,24)
InChIKeyIFKXLDSKRNUJIH-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.35
Rot. Bonds3

About 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid

1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid (PubChem CID 134416470) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid
PubChem CID134416470
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid
SMILESO=C(O)C1=CCc2ccc(-n3c(C(=O)O)cc4ccccc43)cc21
InChIInChI=1S/C19H13NO4/c21-18(22)14-8-6-11-5-7-13(10-15(11)14)20-16-4-2-1-3-12(16)9-17(20)19(23)24/h1-5,7-10H,6H2,(H,21,22)(H,23,24)
InChIKeyIFKXLDSKRNUJIH-UHFFFAOYSA-N
XLogP3.35
TPSA79.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-methyl-3-nitrophenyl)indole-2-carboxylic acid
CID 69378829
1-(4-chlorophenyl)indole-2-carboxylic acid;1-propan-2-ylpiperidin-4-amine
CID 172769945
N,1-bis(4-aminophenyl)indole-2-carboxamide
CID 159247569
1-[4-[methyl-(1-methylpiperidin-4-yl)amino]-3-[(4-methylphenyl)carbamoylamino]phenyl]indole-2-carboxylic acid
CID 149012804
(4-aminopiperidin-1-yl)-[1-(4-methoxyphenyl)indol-2-yl]methanone
CID 142244437
methyl 1-(9H-carbazol-2-yl)indole-2-carboxylate
CID 141344968
1-(3,5-dimethylphenyl)indole-2-carboxamide
CID 175028447
1-(N-carbamoylanilino)indole-2-carboxylic acid
CID 67622156
1-(6-methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indole-2-carboxylic acid
CID 171486371
1-prop-2-ynylindole-2-carboxylic acid
CID 18327565
1-(4-chlorophenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801083
1-(4-methoxyphenyl)-N-[(1-propan-2-ylpiperidin-4-yl)methyl]indole-2-carboxamide
CID 20801223

Frequently Asked Questions

What is the IUPAC name of 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid?
The IUPAC name of 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid (CID 134416470) is 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid.
What is the SMILES notation for 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid?
The canonical SMILES for 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid is O=C(O)C1=CCc2ccc(-n3c(C(=O)O)cc4ccccc43)cc21.
What is the InChIKey of 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid?
The InChIKey is IFKXLDSKRNUJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-18(22)14-8-6-11-5-7-13(10-15(11)14)20-16-4-2-1-3-12(16)9-17(20)19(23)24/h1-5,7-10H,6H2,(H,21,22)(H,23,24).
What are the key properties of 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid?
1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid has a molecular weight of 319.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-carboxy-1H-inden-5-yl)indole-2-carboxylic acid is sourced from PubChem (CID 134416470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).