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

C16H20N2O3 — CID 79175356

IUPAC1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid
SMILESCCN1CCOC(Cn2cc(C(=O)O)c3ccccc32)C1
InChIInChI=1S/C16H20N2O3/c1-2-17-7-8-21-12(9-17)10-18-11-14(16(19)20)13-5-3-4-6-15(13)18/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)
InChIKeyMQKZREAPPSEWEE-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.06
Rot. Bonds4

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

1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid (PubChem CID 79175356) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid.

Molecular Properties

Compound Name1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid
PubChem CID79175356
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid
SMILESCCN1CCOC(Cn2cc(C(=O)O)c3ccccc32)C1
InChIInChI=1S/C16H20N2O3/c1-2-17-7-8-21-12(9-17)10-18-11-14(16(19)20)13-5-3-4-6-15(13)18/h3-6,11-12H,2,7-10H2,1H3,(H,19,20)
InChIKeyMQKZREAPPSEWEE-UHFFFAOYSA-N
XLogP2.06
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-ethylpiperidin-4-yl)methyl]indole-3-carboxylic acid
CID 54164902
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-4-carboxylic acid
CID 114400968
2-[(4-ethylmorpholin-2-yl)methyl]pyrazole-3-carboxylic acid
CID 79172074
N-[[1-[(4-methylmorpholin-2-yl)methyl]indol-3-yl]methyl]ethanamine
CID 79171525
[1-[(4-ethylmorpholin-2-yl)methyl]pyrrolo[2,3-b]pyridin-3-yl]methanol
CID 79182797
3-[(4-ethylmorpholin-2-yl)methyl]benzimidazole-5-carboxylic acid
CID 114400969
2-[4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
CID 119248799
2-[(2S)-4-[1-(2-methylpropyl)indole-3-carbonyl]morpholin-2-yl]acetic acid
CID 125151891
1-[(4-ethylmorpholin-2-yl)methyl]-2,3-dihydroindole-2-carboxylic acid
CID 80563806
1-(2-ethylsulfonylethyl)indole-3-carboxylic acid
CID 43807959
1-[(4-ethylmorpholin-2-yl)methyl]pyrimidin-2-one
CID 116618394
1-[(4-ethylmorpholin-2-yl)methyl]pyrrole-2,5-dione
CID 114400408

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid?
The IUPAC name of 1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid (CID 79175356) is 1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid.
What is the SMILES notation for 1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid?
The canonical SMILES for 1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid is CCN1CCOC(Cn2cc(C(=O)O)c3ccccc32)C1.
What is the InChIKey of 1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid?
The InChIKey is MQKZREAPPSEWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-17-7-8-21-12(9-17)10-18-11-14(16(19)20)13-5-3-4-6-15(13)18/h3-6,11-12H,2,7-10H2,1H3,(H,19,20).
What are the key properties of 1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid?
1-[(4-ethylmorpholin-2-yl)methyl]indole-3-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 2.06, 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]indole-3-carboxylic acid is sourced from PubChem (CID 79175356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).