methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate

C24H33NO5Si — CID 102399049

IUPACmethyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-24(2,3)31(19-12-7-5-8-13-19,20-14-9-6-10-15-20)30-17-11-16-22(27)25-21(18-26)23(28)29-4/h5-10,12-15,21,26H,11,16-18H2,1-4H3,(H,25,27)/t21-/m0/s1
InChIKeyHAWJXHSWMCBQDQ-NRFANRHFSA-N
MW443.62 g/mol
LogP1.99
Rot. Bonds10

About methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate

methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate (PubChem CID 102399049) has the molecular formula C24H33NO5Si and a molecular weight of 443.62 g/mol. Its IUPAC name is methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate
PubChem CID102399049
Molecular FormulaC24H33NO5Si
Molecular Weight443.62 g/mol
Exact Mass443.21
IUPAC Namemethyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate
SMILESCOC(=O)[C@H](CO)NC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-24(2,3)31(19-12-7-5-8-13-19,20-14-9-6-10-15-20)30-17-11-16-22(27)25-21(18-26)23(28)29-4/h5-10,12-15,21,26H,11,16-18H2,1-4H3,(H,25,27)/t21-/m0/s1
InChIKeyHAWJXHSWMCBQDQ-NRFANRHFSA-N
XLogP1.99
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate?
The IUPAC name of methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate (CID 102399049) is methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate is COC(=O)[C@H](CO)NC(=O)CCCO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate?
The InChIKey is HAWJXHSWMCBQDQ-NRFANRHFSA-N. The full InChI is InChI=1S/C24H33NO5Si/c1-24(2,3)31(19-12-7-5-8-13-19,20-14-9-6-10-15-20)30-17-11-16-22(27)25-21(18-26)23(28)29-4/h5-10,12-15,21,26H,11,16-18H2,1-4H3,(H,25,27)/t21-/m0/s1.
What are the key properties of methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate?
methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate has a molecular weight of 443.62 g/mol, XLogP of 1.99, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[4-[tert-butyl(diphenyl)silyl]oxybutanoylamino]-3-hydroxypropanoate is sourced from PubChem (CID 102399049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).