(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid

C16H18N2O4 — CID 124698148

IUPAC(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
SMILESCc1cn(CC(=O)N2CCO[C@H](C(=O)O)C2)c2ccccc12
InChIInChI=1S/C16H18N2O4/c1-11-8-18(13-5-3-2-4-12(11)13)10-15(19)17-6-7-22-14(9-17)16(20)21/h2-5,8,14H,6-7,9-10H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyQQWSWVGQBIYQTN-AWEZNQCLSA-N
MW302.33 g/mol
LogP1.26
Rot. Bonds3

About (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid

(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid (PubChem CID 124698148) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
PubChem CID124698148
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid
SMILESCc1cn(CC(=O)N2CCO[C@H](C(=O)O)C2)c2ccccc12
InChIInChI=1S/C16H18N2O4/c1-11-8-18(13-5-3-2-4-12(11)13)10-15(19)17-6-7-22-14(9-17)16(20)21/h2-5,8,14H,6-7,9-10H2,1H3,(H,20,21)/t14-/m0/s1
InChIKeyQQWSWVGQBIYQTN-AWEZNQCLSA-N
XLogP1.26
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methylindol-1-yl)-1-piperidin-1-ylethanone
CID 49371096
1-(3-hydroxypiperidin-1-yl)-2-(3-methylindol-1-yl)ethanone
CID 110910723
(2R)-4-[2-(4-oxocinnolin-1-yl)acetyl]morpholine-2-carboxylic acid
CID 129352878
2-(3-methylindol-1-yl)-1-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95734212
1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone
CID 119036834
(2R)-4-[(3R)-3-phenylbutanoyl]morpholine-2-carboxylic acid
CID 124692903
1-[2-oxo-2-[2-(trifluoromethyl)morpholin-4-yl]ethyl]indole-3-carboxamide
CID 56880926
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
(2R)-4-(3-indol-1-ylpropanoyl)morpholine-2-carboxylic acid
CID 124703983
1-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]-2-(3-methylindol-1-yl)ethanone
CID 95340151
4-(3-methylbenzo[g][1]benzofuran-2-carbonyl)morpholine-2-carboxylic acid
CID 119357933

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid (CID 124698148) is (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid is Cc1cn(CC(=O)N2CCO[C@H](C(=O)O)C2)c2ccccc12.
What is the InChIKey of (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid?
The InChIKey is QQWSWVGQBIYQTN-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11-8-18(13-5-3-2-4-12(11)13)10-15(19)17-6-7-22-14(9-17)16(20)21/h2-5,8,14H,6-7,9-10H2,1H3,(H,20,21)/t14-/m0/s1.
What are the key properties of (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid?
(2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(3-methylindol-1-yl)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124698148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).