tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate

C19H26FNO5 — CID 135055717

IUPACtert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc([C@@H](F)C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H26FNO5/c1-19(2,3)26-18(23)21-11-5-6-14(21)12-25-17(22)16(20)13-7-9-15(24-4)10-8-13/h7-10,14,16H,5-6,11-12H2,1-4H3/t14-,16+/m0/s1
InChIKeyFMSASKYMUOSMPO-GOEBONIOSA-N
MW367.42 g/mol
LogP3.65
Rot. Bonds5

About tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate

tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate (PubChem CID 135055717) has the molecular formula C19H26FNO5 and a molecular weight of 367.42 g/mol. Its IUPAC name is tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate
PubChem CID135055717
Molecular FormulaC19H26FNO5
Molecular Weight367.42 g/mol
Exact Mass367.18
IUPAC Nametert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate
SMILESCOc1ccc([C@@H](F)C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1
InChIInChI=1S/C19H26FNO5/c1-19(2,3)26-18(23)21-11-5-6-14(21)12-25-17(22)16(20)13-7-9-15(24-4)10-8-13/h7-10,14,16H,5-6,11-12H2,1-4H3/t14-,16+/m0/s1
InChIKeyFMSASKYMUOSMPO-GOEBONIOSA-N
XLogP3.65
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate (CID 135055717) is tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate is COc1ccc([C@@H](F)C(=O)OC[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1.
What is the InChIKey of tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate?
The InChIKey is FMSASKYMUOSMPO-GOEBONIOSA-N. The full InChI is InChI=1S/C19H26FNO5/c1-19(2,3)26-18(23)21-11-5-6-14(21)12-25-17(22)16(20)13-7-9-15(24-4)10-8-13/h7-10,14,16H,5-6,11-12H2,1-4H3/t14-,16+/m0/s1.
What are the key properties of tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate has a molecular weight of 367.42 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[[(2R)-2-fluoro-2-(4-methoxyphenyl)acetyl]oxymethyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 135055717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).