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

C16H18N2O4 — CID 124697408

IUPAC(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
SMILESCc1cccc2[nH]cc(CC(=O)N3CCO[C@H](C(=O)O)C3)c12
InChIInChI=1S/C16H18N2O4/c1-10-3-2-4-12-15(10)11(8-17-12)7-14(19)18-5-6-22-13(9-18)16(20)21/h2-4,8,13,17H,5-7,9H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyIJOPVJZUNMCSIR-ZDUSSCGKSA-N
MW302.33 g/mol
LogP1.33
Rot. Bonds3

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

(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid (PubChem CID 124697408) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is (2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
PubChem CID124697408
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
SMILESCc1cccc2[nH]cc(CC(=O)N3CCO[C@H](C(=O)O)C3)c12
InChIInChI=1S/C16H18N2O4/c1-10-3-2-4-12-15(10)11(8-17-12)7-14(19)18-5-6-22-13(9-18)16(20)21/h2-4,8,13,17H,5-7,9H2,1H3,(H,20,21)/t13-/m0/s1
InChIKeyIJOPVJZUNMCSIR-ZDUSSCGKSA-N
XLogP1.33
TPSA82.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-[2-(7-ethyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 124684080
2-(4-methyl-1H-indol-3-yl)-1-piperazin-1-ylethanone
CID 110833761
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-methyl-1H-indol-3-yl)ethanone
CID 110853564
4-[2-(2,5-dimethylphenyl)acetyl]morpholine-2-carboxylic acid
CID 62539492
4-[2-(5-methyl-1H-pyrrol-3-yl)acetyl]morpholine-2-carboxylic acid
CID 112532113
4-hydroxy-1-[2-(4-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 119251873
(2R)-2-methyl-N-[2-(4-methyl-1H-indol-3-yl)ethyl]morpholine-4-carboxamide
CID 95760502
(2S)-4-(4-bromo-1H-indole-3-carbonyl)morpholine-2-carboxylic acid
CID 125118741
4-(2,6-dimethylbenzoyl)morpholine-2-carboxylic acid
CID 103925683
(2R)-4-[2-(2,6-difluorophenyl)acetyl]morpholine-2-carboxylic acid
CID 124517322
(6R)-4-[2-(4-methoxy-1H-indol-3-yl)acetyl]-6-methylmorpholine-2-carboxylic acid
CID 120536282
1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid?
The IUPAC name of (2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid (CID 124697408) is (2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid is Cc1cccc2[nH]cc(CC(=O)N3CCO[C@H](C(=O)O)C3)c12.
What is the InChIKey of (2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid?
The InChIKey is IJOPVJZUNMCSIR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-3-2-4-12-15(10)11(8-17-12)7-14(19)18-5-6-22-13(9-18)16(20)21/h2-4,8,13,17H,5-7,9H2,1H3,(H,20,21)/t13-/m0/s1.
What are the key properties of (2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid?
(2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid has a molecular weight of 302.33 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[2-(4-methyl-1H-indol-3-yl)acetyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 124697408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).