1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid

C16H22N2O2 — CID 83946210

IUPAC1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(C(C)C)cn2CCN
InChIInChI=1S/C16H22N2O2/c1-4-11-7-12-14(10(2)3)9-18(6-5-17)15(12)13(8-11)16(19)20/h7-10H,4-6,17H2,1-3H3,(H,19,20)
InChIKeyPGXWRKNYIPBXIV-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.98
Rot. Bonds5

About 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid

1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid (PubChem CID 83946210) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid
PubChem CID83946210
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid
SMILESCCc1cc(C(=O)O)c2c(c1)c(C(C)C)cn2CCN
InChIInChI=1S/C16H22N2O2/c1-4-11-7-12-14(10(2)3)9-18(6-5-17)15(12)13(8-11)16(19)20/h7-10H,4-6,17H2,1-3H3,(H,19,20)
InChIKeyPGXWRKNYIPBXIV-UHFFFAOYSA-N
XLogP2.98
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-ethyl-3-(1-hydroxyethyl)-1-(2-hydroxyethyl)indole-7-carboxylic acid
CID 83946131
1-(3-aminopropyl)-5-tert-butyl-3-propan-2-ylindole-7-carboxylic acid
CID 83945547
1-butyl-3,5-diethylindole-7-carboxylic acid
CID 83946172
5-ethyl-3-(1-hydroxyethyl)-1-propan-2-ylindole-7-carboxylic acid
CID 83946162
1,3,5-triethylindole-7-carboxylic acid
CID 83946119
5-ethyl-1,3-dimethylindole-7-carboxylic acid
CID 83946143
1-(2-aminoethyl)-3-(3-aminopropyl)-5-methylindole-7-carboxylic acid
CID 83946116
5-ethyl-1-propan-2-yl-3-propylindole-7-carboxylic acid
CID 83946165
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
CID 83946012
1-butyl-7-ethyl-3-propan-2-ylindole-5-carboxylic acid
CID 83945892
3-(2-aminoethyl)-1-(2-hydroxyethyl)-5-propan-2-ylindole-7-carboxylic acid
CID 83946236
1-(3-aminopropyl)-5-methyl-3-propan-2-ylindole-6-carboxylic acid
CID 83963567

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid (CID 83946210) is 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid is CCc1cc(C(=O)O)c2c(c1)c(C(C)C)cn2CCN.
What is the InChIKey of 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid?
The InChIKey is PGXWRKNYIPBXIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-4-11-7-12-14(10(2)3)9-18(6-5-17)15(12)13(8-11)16(19)20/h7-10H,4-6,17H2,1-3H3,(H,19,20).
What are the key properties of 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid?
1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid has a molecular weight of 274.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-ethyl-3-propan-2-ylindole-7-carboxylic acid is sourced from PubChem (CID 83946210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).