(2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid

C16H20N2O3 — CID 125435479

IUPAC(2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid
SMILESCCn1ccc2c(CN3CCO[C@@H](C(=O)O)C3)cccc21
InChIInChI=1S/C16H20N2O3/c1-2-18-7-6-13-12(4-3-5-14(13)18)10-17-8-9-21-15(11-17)16(19)20/h3-7,15H,2,8-11H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyBMCOVMLYIKIIJD-OAHLLOKOSA-N
MW288.35 g/mol
LogP1.95
Rot. Bonds4

About (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid

(2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid (PubChem CID 125435479) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid
PubChem CID125435479
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name(2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid
SMILESCCn1ccc2c(CN3CCO[C@@H](C(=O)O)C3)cccc21
InChIInChI=1S/C16H20N2O3/c1-2-18-7-6-13-12(4-3-5-14(13)18)10-17-8-9-21-15(11-17)16(19)20/h3-7,15H,2,8-11H2,1H3,(H,19,20)/t15-/m1/s1
InChIKeyBMCOVMLYIKIIJD-OAHLLOKOSA-N
XLogP1.95
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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid with MolForge

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Related Compounds

4-[(2,3-dimethoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 65067016
(3S,4S)-1-[(1-ethylindol-4-yl)methyl]-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 135115999
4-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]morpholine-2-carboxylic acid
CID 65067171
[(3R,4S)-1-[(1-ethylindol-4-yl)methyl]-4-[(4-ethylpiperazin-1-yl)methyl]pyrrolidin-3-yl]methanol
CID 72937814
4-[(2,2-difluoro-1,3-benzodioxol-4-yl)methyl]morpholine-2-carboxylic acid
CID 166241559
(2S)-4-(furan-2-ylmethyl)morpholine-2-carboxylic acid
CID 51441031
(1S,5R)-7-[(1-ethylindol-4-yl)methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135105029
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)morpholine-2-carboxylic acid
CID 66411236
4-(pyrimidin-2-ylmethyl)morpholine-2-carboxylic acid
CID 62699016
(3S,4R)-1-[(1-ethylindol-4-yl)methyl]-3-(hydroxymethyl)-3-propylpiperidin-4-ol
CID 162626005
4-[(6-methoxy-2-pyridinyl)methyl]morpholine-2-carboxylic acid
CID 63985912
(2R)-4-[(4-methoxyphenyl)methyl]morpholine-2-carboxylic acid
CID 51441017

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid (CID 125435479) is (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid is CCn1ccc2c(CN3CCO[C@@H](C(=O)O)C3)cccc21.
What is the InChIKey of (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid?
The InChIKey is BMCOVMLYIKIIJD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-2-18-7-6-13-12(4-3-5-14(13)18)10-17-8-9-21-15(11-17)16(19)20/h3-7,15H,2,8-11H2,1H3,(H,19,20)/t15-/m1/s1.
What are the key properties of (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid?
(2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid has a molecular weight of 288.35 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[(1-ethylindol-4-yl)methyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125435479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).