(3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid

C23H34N4O5Si — CID 67187587

IUPAC(3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid
SMILESCN(C)C(=O)c1cc(C(=O)N(C)C)c2[nH]c([Si](C)(C)C)c(C[C@H]3COCCN3C(=O)O)c2c1
InChIInChI=1S/C23H34N4O5Si/c1-25(2)21(28)14-10-16-17(12-15-13-32-9-8-27(15)23(30)31)20(33(5,6)7)24-19(16)18(11-14)22(29)26(3)4/h10-11,15,24H,8-9,12-13H2,1-7H3,(H,30,31)/t15-/m0/s1
InChIKeyRCOADSWZPMJJAE-HNNXBMFYSA-N
MW474.63 g/mol
LogP2.04
Rot. Bonds5

About (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid

(3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid (PubChem CID 67187587) has the molecular formula C23H34N4O5Si and a molecular weight of 474.63 g/mol. Its IUPAC name is (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid.

Molecular Properties

Compound Name(3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid
PubChem CID67187587
Molecular FormulaC23H34N4O5Si
Molecular Weight474.63 g/mol
Exact Mass474.23
IUPAC Name(3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid
SMILESCN(C)C(=O)c1cc(C(=O)N(C)C)c2[nH]c([Si](C)(C)C)c(C[C@H]3COCCN3C(=O)O)c2c1
InChIInChI=1S/C23H34N4O5Si/c1-25(2)21(28)14-10-16-17(12-15-13-32-9-8-27(15)23(30)31)20(33(5,6)7)24-19(16)18(11-14)22(29)26(3)4/h10-11,15,24H,8-9,12-13H2,1-7H3,(H,30,31)/t15-/m0/s1
InChIKeyRCOADSWZPMJJAE-HNNXBMFYSA-N
XLogP2.04
TPSA106.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylic acid
CID 67186824
tert-butyl (3S)-3-[(5-chloro-7-methoxycarbonyl-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate
CID 67185751
tert-butyl (3S)-3-[(6-methoxy-2-trimethylsilyl-1H-indol-3-yl)methyl]morpholine-4-carboxylate
CID 90817567
3-[[(3S)-4-(2-aminopyridine-3-carbonyl)morpholin-3-yl]methyl]-N,N,1-trimethylindole-5-carboxamide
CID 68642105
3-(acetamidomethyl)morpholine-4-carboxylic acid
CID 174875901
tert-butyl (3S)-3-[(5-methoxycarbonyl-1-methyl-2-trimethylsilylindol-3-yl)methyl]morpholine-4-carboxylate
CID 66852556
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
(3S)-3-(methylsulfonyloxymethyl)morpholine-4-carboxylic acid
CID 170344357
(3S)-3-[(4-cyano-3-pyridinyl)oxymethyl]morpholine-4-carboxylic acid
CID 166773309
3-[[4-[3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532014
3-[[(6,7-difluoroquinoxalin-2-yl)amino]methyl]morpholine-4-carboxylic acid
CID 67090626
(5-amino-2-chloro-4-pyridinyl)-(3-ethylmorpholin-4-yl)methanone
CID 114089389

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid?
The IUPAC name of (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid (CID 67187587) is (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid.
What is the SMILES notation for (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid?
The canonical SMILES for (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid is CN(C)C(=O)c1cc(C(=O)N(C)C)c2[nH]c([Si](C)(C)C)c(C[C@H]3COCCN3C(=O)O)c2c1.
What is the InChIKey of (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid?
The InChIKey is RCOADSWZPMJJAE-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H34N4O5Si/c1-25(2)21(28)14-10-16-17(12-15-13-32-9-8-27(15)23(30)31)20(33(5,6)7)24-19(16)18(11-14)22(29)26(3)4/h10-11,15,24H,8-9,12-13H2,1-7H3,(H,30,31)/t15-/m0/s1.
What are the key properties of (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid?
(3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid has a molecular weight of 474.63 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5,7-bis(dimethylcarbamoyl)-2-trimethylsilyl-1H-indol-3-yl]methyl]morpholine-4-carboxylic acid is sourced from PubChem (CID 67187587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).