(2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid

C9H21NO2Si — CID 15706342

IUPAC(2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid
SMILESC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H21NO2Si/c1-7(8(11)12)10-13(5,6)9(2,3)4/h7,10H,1-6H3,(H,11,12)/t7-/m0/s1
InChIKeyHTWBMZCZKAYESI-ZETCQYMHSA-N
MW203.36 g/mol
LogP2.05
Rot. Bonds3

About (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid

(2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid (PubChem CID 15706342) has the molecular formula C9H21NO2Si and a molecular weight of 203.36 g/mol. Its IUPAC name is (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid
PubChem CID15706342
Molecular FormulaC9H21NO2Si
Molecular Weight203.36 g/mol
Exact Mass203.13
IUPAC Name(2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid
SMILESC[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C9H21NO2Si/c1-7(8(11)12)10-13(5,6)9(2,3)4/h7,10H,1-6H3,(H,11,12)/t7-/m0/s1
InChIKeyHTWBMZCZKAYESI-ZETCQYMHSA-N
XLogP2.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.36
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid (CID 15706342) is (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid is C[C@H](N[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid?
The InChIKey is HTWBMZCZKAYESI-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H21NO2Si/c1-7(8(11)12)10-13(5,6)9(2,3)4/h7,10H,1-6H3,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid?
(2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid has a molecular weight of 203.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[tert-butyl(dimethyl)silyl]amino]propanoic acid is sourced from PubChem (CID 15706342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).