(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid

C19H25NO3Si — CID 16753285

IUPAC(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid
SMILESCC(C)(C)[Si](OC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO3Si/c1-19(2,3)24(15-10-6-4-7-11-15,16-12-8-5-9-13-16)23-14-17(20)18(21)22/h4-13,17H,14,20H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyQPDMZTKHTFOAPP-KRWDZBQOSA-N
MW343.50 g/mol
LogP1.97
Rot. Bonds6

About (2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid

(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid (PubChem CID 16753285) has the molecular formula C19H25NO3Si and a molecular weight of 343.50 g/mol. Its IUPAC name is (2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid
PubChem CID16753285
Molecular FormulaC19H25NO3Si
Molecular Weight343.50 g/mol
Exact Mass343.16
IUPAC Name(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid
SMILESCC(C)(C)[Si](OC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO3Si/c1-19(2,3)24(15-10-6-4-7-11-15,16-12-8-5-9-13-16)23-14-17(20)18(21)22/h4-13,17H,14,20H2,1-3H3,(H,21,22)/t17-/m0/s1
InChIKeyQPDMZTKHTFOAPP-KRWDZBQOSA-N
XLogP1.97
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid?
The IUPAC name of (2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid (CID 16753285) is (2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid?
The canonical SMILES for (2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid is CC(C)(C)[Si](OC[C@H](N)C(=O)O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid?
The InChIKey is QPDMZTKHTFOAPP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H25NO3Si/c1-19(2,3)24(15-10-6-4-7-11-15,16-12-8-5-9-13-16)23-14-17(20)18(21)22/h4-13,17H,14,20H2,1-3H3,(H,21,22)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid?
(2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid has a molecular weight of 343.50 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropanoic acid is sourced from PubChem (CID 16753285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).