tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C14H19NO4 — CID 81002523

IUPACtert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)10-6-4-8-15(10)12(16)11-7-5-9-18-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-/m1/s1
InChIKeyBEFSEEBHWIBMIH-SNVBAGLBSA-N
MW265.31 g/mol
LogP2.23
Rot. Bonds2

About tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 81002523) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID81002523
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Nametert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C14H19NO4/c1-14(2,3)19-13(17)10-6-4-8-15(10)12(16)11-7-5-9-18-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-/m1/s1
InChIKeyBEFSEEBHWIBMIH-SNVBAGLBSA-N
XLogP2.23
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944214
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate
CID 96519972
tert-butyl (2R)-1-[3-(furan-2-yl)propanoyl]pyrrolidine-2-carboxylate
CID 80998556
undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 91724066
tert-butyl (2S)-1-(2-chlorobenzoyl)pyrrolidine-2-carboxylate
CID 80998275
tert-butyl (2R)-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 115535890
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944359
tert-butyl (2R)-1-(3-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 115535883
tert-butyl (2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 81004290

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 81002523) is tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is BEFSEEBHWIBMIH-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H19NO4/c1-14(2,3)19-13(17)10-6-4-8-15(10)12(16)11-7-5-9-18-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-/m1/s1.
What are the key properties of tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 81002523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).