methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate

C18H29NO5Si — CID 11360627

IUPACmethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H29NO5Si/c1-18(2,3)25(5,6)24-13-15(16(20)22-4)19-17(21)23-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,19,21)/t15-/m0/s1
InChIKeyMGMBDAZINVGJIJ-HNNXBMFYSA-N
MW367.52 g/mol
LogP3.48
Rot. Bonds7

About methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate

methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate (PubChem CID 11360627) has the molecular formula C18H29NO5Si and a molecular weight of 367.52 g/mol. Its IUPAC name is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate.

Molecular Properties

Compound Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
PubChem CID11360627
Molecular FormulaC18H29NO5Si
Molecular Weight367.52 g/mol
Exact Mass367.18
IUPAC Namemethyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate
SMILESCOC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1
InChIInChI=1S/C18H29NO5Si/c1-18(2,3)25(5,6)24-13-15(16(20)22-4)19-17(21)23-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,19,21)/t15-/m0/s1
InChIKeyMGMBDAZINVGJIJ-HNNXBMFYSA-N
XLogP3.48
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.52
LogP ≤ 53.48
H-Bond Donors ≤ 51
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 methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
The IUPAC name of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate (CID 11360627) is methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate.
What is the SMILES notation for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
The canonical SMILES for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate is COC(=O)[C@H](CO[Si](C)(C)C(C)(C)C)NC(=O)OCc1ccccc1.
What is the InChIKey of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
The InChIKey is MGMBDAZINVGJIJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H29NO5Si/c1-18(2,3)25(5,6)24-13-15(16(20)22-4)19-17(21)23-12-14-10-8-7-9-11-14/h7-11,15H,12-13H2,1-6H3,(H,19,21)/t15-/m0/s1.
What are the key properties of methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate?
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate has a molecular weight of 367.52 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-(phenylmethoxycarbonylamino)propanoate is sourced from PubChem (CID 11360627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).