methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate

C15H18N2O3 — CID 67187780

IUPACmethyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C[C@H]3COCCN3)c[nH]c2c1
InChIInChI=1S/C15H18N2O3/c1-19-15(18)10-2-3-13-11(8-17-14(13)7-10)6-12-9-20-5-4-16-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3/t12-/m0/s1
InChIKeyFCJJNFXZGKKNMR-LBPRGKRZSA-N
MW274.32 g/mol
LogP1.49
Rot. Bonds3

About methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate

methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate (PubChem CID 67187780) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate
PubChem CID67187780
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Namemethyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(C[C@H]3COCCN3)c[nH]c2c1
InChIInChI=1S/C15H18N2O3/c1-19-15(18)10-2-3-13-11(8-17-14(13)7-10)6-12-9-20-5-4-16-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3/t12-/m0/s1
InChIKeyFCJJNFXZGKKNMR-LBPRGKRZSA-N
XLogP1.49
TPSA63.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-ethyl-1H-indole-6-carboxylate
CID 22627226
methyl 3-[(2,4-dioxo-1,3-oxazolidin-5-yl)methyl]-1H-indole-6-carboxylate
CID 70303122
(3S)-3-[(5-cyclobutyloxy-1H-indol-3-yl)methyl]morpholine
CID 67185221
methyl 3-(morpholin-3-ylmethylsulfamoyl)benzoate
CID 103548901
methyl 3-(2-amino-3-methoxy-3-oxopropyl)-1H-indole-6-carboxylate
CID 20768833
6-methoxycarbonyl-1H-indole-3-carboxylic acid
CID 69186746
methyl 4-amino-3-(oxolan-3-yloxy)benzoate
CID 59360023
methyl 3-[(6-hydroxy-1H-indol-3-yl)methyl]benzoate
CID 58138575
methyl 3-(ethylcarbamoyl)-1H-indole-6-carboxylate
CID 91491470
3-[(2-methoxy-5-methylphenyl)methyl]morpholine
CID 82286569
3-[(5-fluoro-2-methoxyphenyl)methyl]morpholine
CID 82287541
N-(morpholin-3-ylmethyl)-1H-indole-6-carboxamide
CID 103548357

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate (CID 67187780) is methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate is COC(=O)c1ccc2c(C[C@H]3COCCN3)c[nH]c2c1.
What is the InChIKey of methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate?
The InChIKey is FCJJNFXZGKKNMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-15(18)10-2-3-13-11(8-17-14(13)7-10)6-12-9-20-5-4-16-12/h2-3,7-8,12,16-17H,4-6,9H2,1H3/t12-/m0/s1.
What are the key properties of methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate?
methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[(3S)-morpholin-3-yl]methyl]-1H-indole-6-carboxylate is sourced from PubChem (CID 67187780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).