(2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate

C14H19NO5 — CID 54144656

IUPAC(2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)[C@@H]1CCCN1c1ccco1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(17)19-12(16)10-6-4-8-15(10)11-7-5-9-18-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-/m0/s1
InChIKeyODMRFEPDIFMJFI-JTQLQIEISA-N
MW281.31 g/mol
LogP2.73
Rot. Bonds2

About (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate

(2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate (PubChem CID 54144656) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate
PubChem CID54144656
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)[C@@H]1CCCN1c1ccco1
InChIInChI=1S/C14H19NO5/c1-14(2,3)20-13(17)19-12(16)10-6-4-8-15(10)11-7-5-9-18-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-/m0/s1
InChIKeyODMRFEPDIFMJFI-JTQLQIEISA-N
XLogP2.73
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
tert-butyl (2R)-1-[3-(furan-2-yl)propanoyl]pyrrolidine-2-carboxylate
CID 80998556
(2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate
CID 88610630
tert-butyl 4-[1-(furan-2-carbonyl)piperidine-2-carbonyl]piperazine-1-carboxylate
CID 55975170
tert-butyl 2-(furan-2-ylmethylcarbamoyl)pyrrolidine-1-carboxylate
CID 51147296
1-O-tert-butyl 2-O-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl] pyrrolidine-1,2-dicarboxylate
CID 14237873
tert-butyl (2S)-2-(furan-2-yl)piperidine-1-carboxylate
CID 124500862
tert-butyl N-[3-[[[(2R)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]methyl]pentan-3-yl]carbamate
CID 96519972
ditert-butyl (2S)-5-(furan-2-yl)pyrrolidine-1,2-dicarboxylate
CID 57189785
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl 4-(furan-2-ylmethylamino)piperidine-1-carboxylate;hydrochloride
CID 75365791

Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate (CID 54144656) is (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate is CC(C)(C)OC(=O)OC(=O)[C@@H]1CCCN1c1ccco1.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is ODMRFEPDIFMJFI-JTQLQIEISA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(2,3)20-13(17)19-12(16)10-6-4-8-15(10)11-7-5-9-18-11/h5,7,9-10H,4,6,8H2,1-3H3/t10-/m0/s1.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate?
(2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl (2S)-1-(furan-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 54144656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).