(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid

C12H24F2N2O3Si — CID 174233839

IUPAC(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1N(C(=O)O)C[C@@H](N)C1(F)F
InChIInChI=1S/C12H24F2N2O3Si/c1-11(2,3)20(4,5)19-7-9-12(13,14)8(15)6-16(9)10(17)18/h8-9H,6-7,15H2,1-5H3,(H,17,18)/t8-,9-/m1/s1
InChIKeyZWNKOLPLYRCZOO-RKDXNWHRSA-N
MW310.42 g/mol
LogP2.33
Rot. Bonds3

About (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid

(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid (PubChem CID 174233839) has the molecular formula C12H24F2N2O3Si and a molecular weight of 310.42 g/mol. Its IUPAC name is (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid
PubChem CID174233839
Molecular FormulaC12H24F2N2O3Si
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC Name(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OC[C@H]1N(C(=O)O)C[C@@H](N)C1(F)F
InChIInChI=1S/C12H24F2N2O3Si/c1-11(2,3)20(4,5)19-7-9-12(13,14)8(15)6-16(9)10(17)18/h8-9H,6-7,15H2,1-5H3,(H,17,18)/t8-,9-/m1/s1
InChIKeyZWNKOLPLYRCZOO-RKDXNWHRSA-N
XLogP2.33
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.33
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 (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid?
The IUPAC name of (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid (CID 174233839) is (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid is CC(C)(C)[Si](C)(C)OC[C@H]1N(C(=O)O)C[C@@H](N)C1(F)F.
What is the InChIKey of (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid?
The InChIKey is ZWNKOLPLYRCZOO-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H24F2N2O3Si/c1-11(2,3)20(4,5)19-7-9-12(13,14)8(15)6-16(9)10(17)18/h8-9H,6-7,15H2,1-5H3,(H,17,18)/t8-,9-/m1/s1.
What are the key properties of (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid?
(2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid has a molecular weight of 310.42 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-4-amino-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-3,3-difluoropyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174233839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).