(3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid

C18H26N2O4Si — CID 67186824

IUPAC(3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid
SMILESCOc1ccc2c(C[C@H]3COCCN3C(=O)O)c([Si](C)(C)C)[nH]c2c1
InChIInChI=1S/C18H26N2O4Si/c1-23-13-5-6-14-15(17(25(2,3)4)19-16(14)10-13)9-12-11-24-8-7-20(12)18(21)22/h5-6,10,12,19H,7-9,11H2,1-4H3,(H,21,22)/t12-/m0/s1
InChIKeyIHPTYARMBQOZAF-LBPRGKRZSA-N
MW362.50 g/mol
LogP2.64
Rot. Bonds4

About (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid

(3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid (PubChem CID 67186824) has the molecular formula C18H26N2O4Si and a molecular weight of 362.50 g/mol. Its IUPAC name is (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid
PubChem CID67186824
Molecular FormulaC18H26N2O4Si
Molecular Weight362.50 g/mol
Exact Mass362.17
IUPAC Name(3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid
SMILESCOc1ccc2c(C[C@H]3COCCN3C(=O)O)c([Si](C)(C)C)[nH]c2c1
InChIInChI=1S/C18H26N2O4Si/c1-23-13-5-6-14-15(17(25(2,3)4)19-16(14)10-13)9-12-11-24-8-7-20(12)18(21)22/h5-6,10,12,19H,7-9,11H2,1-4H3,(H,21,22)/t12-/m0/s1
InChIKeyIHPTYARMBQOZAF-LBPRGKRZSA-N
XLogP2.64
TPSA74.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid?
The IUPAC name of (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid (CID 67186824) is (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid?
The canonical SMILES for (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid is COc1ccc2c(C[C@H]3COCCN3C(=O)O)c([Si](C)(C)C)[nH]c2c1.
What is the InChIKey of (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid?
The InChIKey is IHPTYARMBQOZAF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H26N2O4Si/c1-23-13-5-6-14-15(17(25(2,3)4)19-16(14)10-13)9-12-11-24-8-7-20(12)18(21)22/h5-6,10,12,19H,7-9,11H2,1-4H3,(H,21,22)/t12-/m0/s1.
What are the key properties of (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid?
(3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid has a molecular weight of 362.50 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 67186824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).