1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid

C14H18N2O3 — CID 83946012

IUPAC1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c(C(C)O)cn(CCN)c12
InChIInChI=1S/C14H18N2O3/c1-8-5-10(14(18)19)6-11-12(9(2)17)7-16(4-3-15)13(8)11/h5-7,9,17H,3-4,15H2,1-2H3,(H,18,19)
InChIKeyOLYQOZPTTOUFPF-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.66
Rot. Bonds4

About 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid

1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid (PubChem CID 83946012) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
PubChem CID83946012
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid
SMILESCc1cc(C(=O)O)cc2c(C(C)O)cn(CCN)c12
InChIInChI=1S/C14H18N2O3/c1-8-5-10(14(18)19)6-11-12(9(2)17)7-16(4-3-15)13(8)11/h5-7,9,17H,3-4,15H2,1-2H3,(H,18,19)
InChIKeyOLYQOZPTTOUFPF-UHFFFAOYSA-N
XLogP1.66
TPSA88.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-bis(2-aminoethyl)-7-methylindole-5-carboxylic acid
CID 83946020
1-butyl-7-methyl-3-propan-2-ylindole-5-carboxylic acid
CID 83945985
1-(2-aminoethyl)-3-(1-hydroxyethyl)-6-methylindole-7-carboxylic acid
CID 83946424
1-(2-aminoethyl)-2,7-dimethyl-3-propan-2-ylindole-5-carboxylic acid
CID 83964376
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
3,7-dimethyl-1-propylindole-5-carboxylic acid
CID 83945963
1-(2-aminoethyl)-3,7-diethylindole-5-carboxylic acid
CID 83945917
3,7-dimethyl-1-propan-2-ylindole-5-carboxylic acid
CID 83945973
3-acetyl-7-methyl-1-propylindole-5-carboxylic acid
CID 83947911
1,3-bis(2-aminoethyl)-7-ethylindole-5-carboxylic acid
CID 83945927
1-(2-aminoethyl)-7-tert-butyl-3-ethylindole-5-carboxylic acid
CID 83945644
1-(3-hydroxypropyl)-3-methyl-7-propan-2-ylindole-5-carboxylic acid
CID 83945803

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid (CID 83946012) is 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid is Cc1cc(C(=O)O)cc2c(C(C)O)cn(CCN)c12.
What is the InChIKey of 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid?
The InChIKey is OLYQOZPTTOUFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-8-5-10(14(18)19)6-11-12(9(2)17)7-16(4-3-15)13(8)11/h5-7,9,17H,3-4,15H2,1-2H3,(H,18,19).
What are the key properties of 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid?
1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid has a molecular weight of 262.31 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-3-(1-hydroxyethyl)-7-methylindole-5-carboxylic acid is sourced from PubChem (CID 83946012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).