(2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate

C15H19NO7 — CID 88610630

IUPAC(2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)[C@@H]1CC(C(O)c2ccco2)C(=O)N1
InChIInChI=1S/C15H19NO7/c1-15(2,3)23-14(20)22-13(19)9-7-8(12(18)16-9)11(17)10-5-4-6-21-10/h4-6,8-9,11,17H,7H2,1-3H3,(H,16,18)/t8?,9-,11?/m0/s1
InChIKeySAZLSFHAGNKFBD-YUCVTWSNSA-N
MW325.32 g/mol
LogP1.30
Rot. Bonds3

About (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate

(2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate (PubChem CID 88610630) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate.

Molecular Properties

Compound Name(2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate
PubChem CID88610630
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name(2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)OC(=O)[C@@H]1CC(C(O)c2ccco2)C(=O)N1
InChIInChI=1S/C15H19NO7/c1-15(2,3)23-14(20)22-13(19)9-7-8(12(18)16-9)11(17)10-5-4-6-21-10/h4-6,8-9,11,17H,7H2,1-3H3,(H,16,18)/t8?,9-,11?/m0/s1
InChIKeySAZLSFHAGNKFBD-YUCVTWSNSA-N
XLogP1.30
TPSA115.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate?
The IUPAC name of (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate (CID 88610630) is (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate.
What is the SMILES notation for (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate?
The canonical SMILES for (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate is CC(C)(C)OC(=O)OC(=O)[C@@H]1CC(C(O)c2ccco2)C(=O)N1.
What is the InChIKey of (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate?
The InChIKey is SAZLSFHAGNKFBD-YUCVTWSNSA-N. The full InChI is InChI=1S/C15H19NO7/c1-15(2,3)23-14(20)22-13(19)9-7-8(12(18)16-9)11(17)10-5-4-6-21-10/h4-6,8-9,11,17H,7H2,1-3H3,(H,16,18)/t8?,9-,11?/m0/s1.
What are the key properties of (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate?
(2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate has a molecular weight of 325.32 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate is sourced from PubChem (CID 88610630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).