(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid

C17H20N2O4 — CID 124684080

IUPAC(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
SMILESCCc1cccc2c(CC(=O)N3CCO[C@H](C(=O)O)C3)c[nH]c12
InChIInChI=1S/C17H20N2O4/c1-2-11-4-3-5-13-12(9-18-16(11)13)8-15(20)19-6-7-23-14(10-19)17(21)22/h3-5,9,14,18H,2,6-8,10H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyWAXHOURBSTVVPI-AWEZNQCLSA-N
MW316.36 g/mol
LogP1.58
Rot. Bonds4

About (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid

(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid (PubChem CID 124684080) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
PubChem CID124684080
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
SMILESCCc1cccc2c(CC(=O)N3CCO[C@H](C(=O)O)C3)c[nH]c12
InChIInChI=1S/C17H20N2O4/c1-2-11-4-3-5-13-12(9-18-16(11)13)8-15(20)19-6-7-23-14(10-19)17(21)22/h3-5,9,14,18H,2,6-8,10H2,1H3,(H,21,22)/t14-/m0/s1
InChIKeyWAXHOURBSTVVPI-AWEZNQCLSA-N
XLogP1.58
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[2-(7-ethyl-1H-indol-3-yl)acetyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175180
(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124697408
4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 112532113
(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
CID 124517322
2-(7-methyl-1H-indol-3-yl)-1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]ethanone
CID 129327716
2-(7-ethyl-1H-indol-3-yl)-1-[6-(methoxymethyl)-2,2-dimethylmorpholin-4-yl]ethanone
CID 128969518
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]-(4-ethylmorpholin-2-yl)methanone
CID 126768350
methyl 1-[1-[2-(7-ethyl-1H-indol-3-yl)acetyl]piperidin-3-yl]triazole-4-carboxylate
CID 166214417
1-[4-(5-chloro-2-fluorobenzoyl)piperazin-1-yl]-2-(7-ethyl-1H-indol-3-yl)ethanone
CID 86904029
[(2R)-1,4-dioxan-2-yl]-[4-(7-ethyl-1H-indol-3-yl)piperidin-1-yl]methanone
CID 95136848
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid (CID 124684080) is (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid is CCc1cccc2c(CC(=O)N3CCO[C@H](C(=O)O)C3)c[nH]c12.
What is the InChIKey of (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid?
The InChIKey is WAXHOURBSTVVPI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-2-11-4-3-5-13-12(9-18-16(11)13)8-15(20)19-6-7-23-14(10-19)17(21)22/h3-5,9,14,18H,2,6-8,10H2,1H3,(H,21,22)/t14-/m0/s1.
What are the key properties of (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid?
(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid has a molecular weight of 316.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124684080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).