ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate

C19H31FN2O3Si — CID 57124716

IUPACethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c(F)c1
InChIInChI=1S/C19H31FN2O3Si/c1-7-24-18(23)21-14-8-9-17(16(20)12-14)22-11-10-15(13-22)25-26(5,6)19(2,3)4/h8-9,12,15H,7,10-11,13H2,1-6H3,(H,21,23)/t15-/m1/s1
InChIKeyOZYVVQLOJOVZHR-OAHLLOKOSA-N
MW382.55 g/mol
LogP4.99
Rot. Bonds5

About ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate

ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate (PubChem CID 57124716) has the molecular formula C19H31FN2O3Si and a molecular weight of 382.55 g/mol. Its IUPAC name is ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate
PubChem CID57124716
Molecular FormulaC19H31FN2O3Si
Molecular Weight382.55 g/mol
Exact Mass382.21
IUPAC Nameethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c(F)c1
InChIInChI=1S/C19H31FN2O3Si/c1-7-24-18(23)21-14-8-9-17(16(20)12-14)22-11-10-15(13-22)25-26(5,6)19(2,3)4/h8-9,12,15H,7,10-11,13H2,1-6H3,(H,21,23)/t15-/m1/s1
InChIKeyOZYVVQLOJOVZHR-OAHLLOKOSA-N
XLogP4.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.55
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate?
The IUPAC name of ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate (CID 57124716) is ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate.
What is the SMILES notation for ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate?
The canonical SMILES for ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate is CCOC(=O)Nc1ccc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c(F)c1.
What is the InChIKey of ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate?
The InChIKey is OZYVVQLOJOVZHR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31FN2O3Si/c1-7-24-18(23)21-14-8-9-17(16(20)12-14)22-11-10-15(13-22)25-26(5,6)19(2,3)4/h8-9,12,15H,7,10-11,13H2,1-6H3,(H,21,23)/t15-/m1/s1.
What are the key properties of ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate?
ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate has a molecular weight of 382.55 g/mol, XLogP of 4.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-fluorophenyl]carbamate is sourced from PubChem (CID 57124716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).