2-(2-aminoethyl)-1H-indole-3-carboxylic acid

C11H12N2O2 — CID 105456001

IUPAC2-(2-aminoethyl)-1H-indole-3-carboxylic acid
SMILESNCCc1[nH]c2ccccc2c1C(=O)O
InChIInChI=1S/C11H12N2O2/c12-6-5-9-10(11(14)15)7-3-1-2-4-8(7)13-9/h1-4,13H,5-6,12H2,(H,14,15)
InChIKeyHDDDXSYJIZJGSK-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.37
Rot. Bonds3

About 2-(2-aminoethyl)-1H-indole-3-carboxylic acid

2-(2-aminoethyl)-1H-indole-3-carboxylic acid (PubChem CID 105456001) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1H-indole-3-carboxylic acid.

Molecular Properties

Compound Name2-(2-aminoethyl)-1H-indole-3-carboxylic acid
PubChem CID105456001
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name2-(2-aminoethyl)-1H-indole-3-carboxylic acid
SMILESNCCc1[nH]c2ccccc2c1C(=O)O
InChIInChI=1S/C11H12N2O2/c12-6-5-9-10(11(14)15)7-3-1-2-4-8(7)13-9/h1-4,13H,5-6,12H2,(H,14,15)
InChIKeyHDDDXSYJIZJGSK-UHFFFAOYSA-N
XLogP1.37
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(sulfanylmethyl)-1H-indole-3-carboxylic acid
CID 158535283
2-(2-aminoethyl)-1H-indol-3-ol
CID 54537889
2-(phenylsulfanylmethyl)-1H-indole-3-carboxylic acid
CID 134158506
2-(3-bromo-1H-indol-2-yl)ethanamine
CID 84629371
3-(2-aminoethyl)-1H-indole-2-carboxylic acid;ethane
CID 90797708
2-carbamoyl-1H-indole-3-carboxylic acid
CID 83814167
1-(2-butyl-1H-indol-3-yl)-2,2,2-trifluoroethanone
CID 67690251
ethyl 4-[2-(4-ethoxy-4-oxobutyl)-1H-indol-3-yl]-4-oxobutanoate
CID 67786587
2-propan-2-yl-1H-indole-3-carboxylic acid
CID 84671443
benzyl 2-(4-ethoxy-4-oxobutyl)-1H-indole-3-carboxylate
CID 67787148
9H-carbazole;carbonic acid
CID 67577328
naphthalen-1-yl-(2-pentyl-1H-indol-3-yl)methanone
CID 121305366

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1H-indole-3-carboxylic acid?
The IUPAC name of 2-(2-aminoethyl)-1H-indole-3-carboxylic acid (CID 105456001) is 2-(2-aminoethyl)-1H-indole-3-carboxylic acid.
What is the SMILES notation for 2-(2-aminoethyl)-1H-indole-3-carboxylic acid?
The canonical SMILES for 2-(2-aminoethyl)-1H-indole-3-carboxylic acid is NCCc1[nH]c2ccccc2c1C(=O)O.
What is the InChIKey of 2-(2-aminoethyl)-1H-indole-3-carboxylic acid?
The InChIKey is HDDDXSYJIZJGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c12-6-5-9-10(11(14)15)7-3-1-2-4-8(7)13-9/h1-4,13H,5-6,12H2,(H,14,15).
What are the key properties of 2-(2-aminoethyl)-1H-indole-3-carboxylic acid?
2-(2-aminoethyl)-1H-indole-3-carboxylic acid has a molecular weight of 204.23 g/mol, XLogP of 1.37, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1H-indole-3-carboxylic acid is sourced from PubChem (CID 105456001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).