methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate

C16H30N2O2Si — CID 44513062

IUPACmethyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate
SMILESCOC(=O)[C@@H](N)c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C16H30N2O2Si/c1-11(2)21(12(3)4,13(5)6)18-9-8-14(10-18)15(17)16(19)20-7/h8-13,15H,17H2,1-7H3/t15-/m0/s1
InChIKeyHSDACTKQOSULPH-HNNXBMFYSA-N
MW310.51 g/mol
LogP3.68
Rot. Bonds6

About methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate

methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate (PubChem CID 44513062) has the molecular formula C16H30N2O2Si and a molecular weight of 310.51 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate
PubChem CID44513062
Molecular FormulaC16H30N2O2Si
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Namemethyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate
SMILESCOC(=O)[C@@H](N)c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1
InChIInChI=1S/C16H30N2O2Si/c1-11(2)21(12(3)4,13(5)6)18-9-8-14(10-18)15(17)16(19)20-7/h8-13,15H,17H2,1-7H3/t15-/m0/s1
InChIKeyHSDACTKQOSULPH-HNNXBMFYSA-N
XLogP3.68
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate?
The IUPAC name of methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate (CID 44513062) is methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate.
What is the SMILES notation for methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate?
The canonical SMILES for methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate is COC(=O)[C@@H](N)c1ccn([Si](C(C)C)(C(C)C)C(C)C)c1.
What is the InChIKey of methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate?
The InChIKey is HSDACTKQOSULPH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H30N2O2Si/c1-11(2)21(12(3)4,13(5)6)18-9-8-14(10-18)15(17)16(19)20-7/h8-13,15H,17H2,1-7H3/t15-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate?
methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate has a molecular weight of 310.51 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-[1-tri(propan-2-yl)silylpyrrol-3-yl]acetate is sourced from PubChem (CID 44513062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).