3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid

C13H14N2O4 — CID 167891211

IUPAC3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
SMILESO=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCO
InChIInChI=1S/C13H14N2O4/c16-6-5-14-11(17)7-9-8-3-1-2-4-10(8)15-12(9)13(18)19/h1-4,15-16H,5-7H2,(H,14,17)(H,18,19)
InChIKeyILNBQDCPPTUCGS-UHFFFAOYSA-N
MW262.26 g/mol
LogP0.52
Rot. Bonds5

About 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid

3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid (PubChem CID 167891211) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
PubChem CID167891211
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
SMILESO=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCO
InChIInChI=1S/C13H14N2O4/c16-6-5-14-11(17)7-9-8-3-1-2-4-10(8)15-12(9)13(18)19/h1-4,15-16H,5-7H2,(H,14,17)(H,18,19)
InChIKeyILNBQDCPPTUCGS-UHFFFAOYSA-N
XLogP0.52
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]-1H-indole-2-carboxylic acid
CID 22423402
3-[2-(butan-2-ylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 3573688
3-[2-(4-chloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 59409122
3-[(sulfanylamino)methyl]-1H-indole-2-carboxylic acid
CID 130240605
3-[2-(4-ethylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 4688274
3-[2-(3-methylbutylamino)-2-oxoethyl]-1H-indole-2-carboxylate
CID 5184994
2-(2-methyl-1H-indol-3-yl)-N-(2-phenylethyl)acetamide
CID 31852687
3-[2-(4-bromo-3-chloroanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 59409108
3-[2-(2-chloro-4-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
CID 5185005
3-[[(4-methylbenzoyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 141176793
3-(methoxymethyl)-1H-indole-2-carboxylic acid
CID 54375862
3-(2-aminoethyl)-1H-indole-2-carboxylic acid;ethane
CID 90797708

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
The IUPAC name of 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid (CID 167891211) is 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid is O=C(Cc1c(C(=O)O)[nH]c2ccccc12)NCCO.
What is the InChIKey of 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
The InChIKey is ILNBQDCPPTUCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-6-5-14-11(17)7-9-8-3-1-2-4-10(8)15-12(9)13(18)19/h1-4,15-16H,5-7H2,(H,14,17)(H,18,19).
What are the key properties of 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid?
3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid has a molecular weight of 262.26 g/mol, XLogP of 0.52, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-hydroxyethylamino)-2-oxoethyl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 167891211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).