tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate

C21H38N4O3Si — CID 58386066

IUPACtert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)cn2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38N4O3Si/c1-20(2,3)27-19(26)24(7)16-13-25(18-11-10-15(22)12-23-18)14-17(16)28-29(8,9)21(4,5)6/h10-12,16-17H,13-14,22H2,1-9H3/t16-,17-/m1/s1
InChIKeyJOZVRLNIIZXNCW-IAGOWNOFSA-N
MW422.65 g/mol
LogP4.11
Rot. Bonds4

About tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate

tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate (PubChem CID 58386066) has the molecular formula C21H38N4O3Si and a molecular weight of 422.65 g/mol. Its IUPAC name is tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate
PubChem CID58386066
Molecular FormulaC21H38N4O3Si
Molecular Weight422.65 g/mol
Exact Mass422.27
IUPAC Nametert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)cn2)C[C@H]1O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C21H38N4O3Si/c1-20(2,3)27-19(26)24(7)16-13-25(18-11-10-15(22)12-23-18)14-17(16)28-29(8,9)21(4,5)6/h10-12,16-17H,13-14,22H2,1-9H3/t16-,17-/m1/s1
InChIKeyJOZVRLNIIZXNCW-IAGOWNOFSA-N
XLogP4.11
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.65
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate (CID 58386066) is tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate is CN(C(=O)OC(C)(C)C)[C@@H]1CN(c2ccc(N)cn2)C[C@H]1O[Si](C)(C)C(C)(C)C.
What is the InChIKey of tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate?
The InChIKey is JOZVRLNIIZXNCW-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H38N4O3Si/c1-20(2,3)27-19(26)24(7)16-13-25(18-11-10-15(22)12-23-18)14-17(16)28-29(8,9)21(4,5)6/h10-12,16-17H,13-14,22H2,1-9H3/t16-,17-/m1/s1.
What are the key properties of tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate?
tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate has a molecular weight of 422.65 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3R,4R)-1-(5-amino-2-pyridinyl)-4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-3-yl]-N-methylcarbamate is sourced from PubChem (CID 58386066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).