1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid

C16H22N2O3 — CID 80563806

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCN1CCOC(CN2c3ccccc3CC2C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-2-17-7-8-21-13(10-17)11-18-14-6-4-3-5-12(14)9-15(18)16(19)20/h3-6,13,15H,2,7-11H2,1H3,(H,19,20)
InChIKeyDOLBVIFISGNGEI-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.22
Rot. Bonds4

About 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid

1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid (PubChem CID 80563806) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
PubChem CID80563806
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
SMILESCCN1CCOC(CN2c3ccccc3CC2C(=O)O)C1
InChIInChI=1S/C16H22N2O3/c1-2-17-7-8-21-13(10-17)11-18-14-6-4-3-5-12(14)9-15(18)16(19)20/h3-6,13,15H,2,7-11H2,1H3,(H,19,20)
InChIKeyDOLBVIFISGNGEI-UHFFFAOYSA-N
XLogP1.22
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethylmorpholin-2-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine
CID 79182791
1-(2-morpholin-4-ylethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566919
1-propyl-2,3-dihydroindole-2-carboxylic acid
CID 80566723
1-[2-(oxolan-2-yl)ethyl]-2,3-dihydroindole-2-carboxylic acid
CID 80566587
1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid
CID 79175356
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
1-[(4-ethylmorpholin-2-yl)methyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 79171819
1-(3-hydroxy-3-methylbutyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566836
1-(1,2-oxazol-5-ylmethyl)-2,3-dihydroindole-2-carboxylic acid
CID 80566932
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408
1-(3-fluoropropyl)-2,3-dihydroindole-2-carboxylic acid
CID 81113053
2,4-diethylmorpholine
CID 58988021

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid (CID 80563806) is 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid is CCN1CCOC(CN2c3ccccc3CC2C(=O)O)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is DOLBVIFISGNGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-2-17-7-8-21-13(10-17)11-18-14-6-4-3-5-12(14)9-15(18)16(19)20/h3-6,13,15H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid?
1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 80563806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).