ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate

C23H38N2O2Si — CID 10024078

IUPACethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate
SMILESCCOC(=O)[C@@H](N)[C@H](C)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccccc12
InChIInChI=1S/C23H38N2O2Si/c1-9-27-23(26)22(24)18(8)20-14-25(21-13-11-10-12-19(20)21)28(15(2)3,16(4)5)17(6)7/h10-18,22H,9,24H2,1-8H3/t18-,22+/m1/s1
InChIKeyPOCJWARCHUFRKQ-GCJKJVERSA-N
MW402.66 g/mol
LogP5.66
Rot. Bonds8

About ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate

ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate (PubChem CID 10024078) has the molecular formula C23H38N2O2Si and a molecular weight of 402.66 g/mol. Its IUPAC name is ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate.

Molecular Properties

Compound Nameethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate
PubChem CID10024078
Molecular FormulaC23H38N2O2Si
Molecular Weight402.66 g/mol
Exact Mass402.27
IUPAC Nameethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate
SMILESCCOC(=O)[C@@H](N)[C@H](C)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccccc12
InChIInChI=1S/C23H38N2O2Si/c1-9-27-23(26)22(24)18(8)20-14-25(21-13-11-10-12-19(20)21)28(15(2)3,16(4)5)17(6)7/h10-18,22H,9,24H2,1-8H3/t18-,22+/m1/s1
InChIKeyPOCJWARCHUFRKQ-GCJKJVERSA-N
XLogP5.66
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.66
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-tri(propan-2-yl)silylindole-3-carboxamide
CID 173113121
phenyl-[1-tri(propan-2-yl)silylindol-3-yl]methanone
CID 15271992
diethyl 2-[2-[5-methoxy-1-tri(propan-2-yl)silylindol-3-yl]ethyl]propanedioate
CID 134906719
diethyl 2-[2-(1,3-dimethylindol-2-yl)propyl]propanedioate
CID 100981876
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
triethyl (2R)-2-(1-methylindol-3-yl)ethane-1,1,2-tricarboxylate
CID 11696471
ethyl 2-amino-3-hydroxy-4-phenylpentanoate
CID 66205533
ethyl 2-hydroxy-2-(3-methylindol-1-yl)acetate
CID 138978169
ethyl 3-phenylindole-1-carboxylate
CID 69433290
ethyl 2-methyl-1-tri(propan-2-yl)silylpyrrole-3-carboxylate
CID 90387563
ethyl 3,3-bis(1-methylindol-3-yl)propanoate
CID 11566677
ethyl (2R)-2-(3-cyanoindol-1-yl)propanoate
CID 134861121

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate?
The IUPAC name of ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate (CID 10024078) is ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate.
What is the SMILES notation for ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate?
The canonical SMILES for ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate is CCOC(=O)[C@@H](N)[C@H](C)c1cn([Si](C(C)C)(C(C)C)C(C)C)c2ccccc12.
What is the InChIKey of ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate?
The InChIKey is POCJWARCHUFRKQ-GCJKJVERSA-N. The full InChI is InChI=1S/C23H38N2O2Si/c1-9-27-23(26)22(24)18(8)20-14-25(21-13-11-10-12-19(20)21)28(15(2)3,16(4)5)17(6)7/h10-18,22H,9,24H2,1-8H3/t18-,22+/m1/s1.
What are the key properties of ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate?
ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate has a molecular weight of 402.66 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R)-2-amino-3-[1-tri(propan-2-yl)silylindol-3-yl]butanoate is sourced from PubChem (CID 10024078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).