4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid

C14H13N3O2 — CID 82299159

IUPAC4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c2ccccc2c1-c1[nH]cc(N)c1C(=O)O
InChIInChI=1S/C14H13N3O2/c1-7-11(8-4-2-3-5-10(8)17-7)13-12(14(18)19)9(15)6-16-13/h2-6,16-17H,15H2,1H3,(H,18,19)
InChIKeyTYQLRMIPSBICSJ-UHFFFAOYSA-N
MW255.28 g/mol
LogP2.75
Rot. Bonds2

About 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid

4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid (PubChem CID 82299159) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
PubChem CID82299159
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid
SMILESCc1[nH]c2ccccc2c1-c1[nH]cc(N)c1C(=O)O
InChIInChI=1S/C14H13N3O2/c1-7-11(8-4-2-3-5-10(8)17-7)13-12(14(18)19)9(15)6-16-13/h2-6,16-17H,15H2,1H3,(H,18,19)
InChIKeyTYQLRMIPSBICSJ-UHFFFAOYSA-N
XLogP2.75
TPSA94.90 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 52.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methyl-1H-indol-3-yl)benzoic acid
CID 82039867
4-amino-2-(2,5-dimethylphenyl)-1H-pyrrole-3-carboxylic acid
CID 82288784
2-[4-(2-methyl-1H-indol-3-yl)-1H-imidazol-5-yl]acetic acid
CID 82299158
5-methyl-2-(2-methyl-1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 82482484
4-amino-2-thiophen-2-yl-1H-pyrrole-3-carboxylic acid
CID 82283675
CID 170645728
CID 170645728
2-amino-4-(1H-indol-3-yl)-5-methylthiophene-3-carboxylic acid
CID 82488540
2-[(2-methyl-1H-indole-3-carbonyl)amino]oxyacetic acid
CID 63930965
2-carbamoyl-1H-indole-3-carboxylic acid
CID 83814167
4-(2-methyl-1H-indol-3-yl)phenol
CID 69113078
4-amino-2-(1-methylpyrrol-3-yl)-1H-pyrrole-3-carboxylic acid
CID 82282960
4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
CID 67553522

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid (CID 82299159) is 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid is Cc1[nH]c2ccccc2c1-c1[nH]cc(N)c1C(=O)O.
What is the InChIKey of 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is TYQLRMIPSBICSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-7-11(8-4-2-3-5-10(8)17-7)13-12(14(18)19)9(15)6-16-13/h2-6,16-17H,15H2,1H3,(H,18,19).
What are the key properties of 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid?
4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-methyl-1H-indol-3-yl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 82299159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).