tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate

C15H22N2O4 — CID 51147296

IUPACtert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)NCc1ccco1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-8-4-7-12(17)13(18)16-10-11-6-5-9-20-11/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyQDYALNKLPQJIIN-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.30
Rot. Bonds3

About tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate

tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 51147296) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID51147296
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nametert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1C(=O)NCc1ccco1
InChIInChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-8-4-7-12(17)13(18)16-10-11-6-5-9-20-11/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,16,18)
InChIKeyQDYALNKLPQJIIN-UHFFFAOYSA-N
XLogP2.30
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 4912343
(2S)-1-(2,4-dimethylbenzoyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95292121
tert-butyl (2S)-2-[(2,6-dichlorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 97173160
4-[2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120672807
(2R)-N-(furan-2-ylmethyl)-1-[2-(2-methylphenyl)acetyl]pyrrolidine-2-carboxamide
CID 95148543
(2R)-N-(furan-2-ylmethyl)-1-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]pyrrolidine-2-carboxamide
CID 40958031
tert-butyl 2-[(2-bromophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 69248323
tert-butyl (2S)-2-[(4-cyanophenyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 54165357
tert-butyl (2S)-2-[(2-chloro-6-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 97173162
tert-butyl (2R)-2-[[3-(trifluoromethyl)phenyl]methylcarbamoyl]pyrrolidine-1-carboxylate
CID 70053161
tert-butyl 4-(furan-2-ylmethylcarbamoyl)piperazine-1-carboxylate
CID 127575362
(2S)-1-N-(4-chlorophenyl)-2-N-(furan-2-ylmethyl)pyrrolidine-1,2-dicarboxamide
CID 1468967

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate (CID 51147296) is tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1C(=O)NCc1ccco1.
What is the InChIKey of tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is QDYALNKLPQJIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)21-14(19)17-8-4-7-12(17)13(18)16-10-11-6-5-9-20-11/h5-6,9,12H,4,7-8,10H2,1-3H3,(H,16,18).
What are the key properties of tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 51147296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).