ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate

C24H33NO5Si — CID 135017795

IUPACethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](CO)NC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-6-29-23(28)21(17-26)25-22(27)18(2)30-31(24(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21,26H,6,17H2,1-5H3,(H,25,27)/t18-,21-/m0/s1
InChIKeyLPQPLBXKNMVPIM-RXVVDRJESA-N
MW443.62 g/mol
LogP1.99
Rot. Bonds9

About ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate

ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate (PubChem CID 135017795) has the molecular formula C24H33NO5Si and a molecular weight of 443.62 g/mol. Its IUPAC name is ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate.

Molecular Properties

Compound Nameethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate
PubChem CID135017795
Molecular FormulaC24H33NO5Si
Molecular Weight443.62 g/mol
Exact Mass443.21
IUPAC Nameethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate
SMILESCCOC(=O)[C@H](CO)NC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C24H33NO5Si/c1-6-29-23(28)21(17-26)25-22(27)18(2)30-31(24(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21,26H,6,17H2,1-5H3,(H,25,27)/t18-,21-/m0/s1
InChIKeyLPQPLBXKNMVPIM-RXVVDRJESA-N
XLogP1.99
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
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': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate?
The IUPAC name of ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate (CID 135017795) is ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate.
What is the SMILES notation for ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate?
The canonical SMILES for ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate is CCOC(=O)[C@H](CO)NC(=O)[C@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate?
The InChIKey is LPQPLBXKNMVPIM-RXVVDRJESA-N. The full InChI is InChI=1S/C24H33NO5Si/c1-6-29-23(28)21(17-26)25-22(27)18(2)30-31(24(3,4)5,19-13-9-7-10-14-19)20-15-11-8-12-16-20/h7-16,18,21,26H,6,17H2,1-5H3,(H,25,27)/t18-,21-/m0/s1.
What are the key properties of ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate?
ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate has a molecular weight of 443.62 g/mol, XLogP of 1.99, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-[[(2S)-2-[tert-butyl(diphenyl)silyl]oxypropanoyl]amino]-3-hydroxypropanoate is sourced from PubChem (CID 135017795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).