4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

C15H19NO7 — CID 70366074

IUPAC4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(=O)C(C(O)c2ccco2)CC1C(=O)O
InChIInChI=1S/C15H19NO7/c1-15(2,3)23-14(21)16-9(13(19)20)7-8(12(16)18)11(17)10-5-4-6-22-10/h4-6,8-9,11,17H,7H2,1-3H3,(H,19,20)
InChIKeyIPVKNMOOYOMBAW-UHFFFAOYSA-N
MW325.32 g/mol
LogP1.55
Rot. Bonds3

About 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid

4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 70366074) has the molecular formula C15H19NO7 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID70366074
Molecular FormulaC15H19NO7
Molecular Weight325.32 g/mol
Exact Mass325.12
IUPAC Name4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESCC(C)(C)OC(=O)N1C(=O)C(C(O)c2ccco2)CC1C(=O)O
InChIInChI=1S/C15H19NO7/c1-15(2,3)23-14(21)16-9(13(19)20)7-8(12(16)18)11(17)10-5-4-6-22-10/h4-6,8-9,11,17H,7H2,1-3H3,(H,19,20)
InChIKeyIPVKNMOOYOMBAW-UHFFFAOYSA-N
XLogP1.55
TPSA117.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2-methylpropan-2-yl)oxycarbonyl (2S)-4-[furan-2-yl(hydroxy)methyl]-5-oxopyrrolidine-2-carboxylate
CID 88610630
1-O-tert-butyl 2-O-methyl (2S)-4-[3,6-dihydro-2H-pyran-4-yl(hydroxy)methyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 155757073
tert-butyl (2R)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]pyrrolidine-1-carboxylate
CID 97071886
1-O-tert-butyl 2-O-methyl (2S)-4-[1-hydroxy-3-methyl-3-(phenylmethoxycarbonylamino)butyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 167481585
tert-butyl 3-[[(1S)-1-(furan-2-yl)ethyl]amino]azetidine-1-carboxylate
CID 81403373
tert-butyl 4-[2-amino-1-(furan-2-yl)ethyl]piperazine-1-carboxylate
CID 82020206
(3S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydro-1,4-benzoxazine-3-carboxylic acid
CID 95426448
tert-butyl (3R)-3-[(1S)-1-(furan-2-yl)ethoxy]piperidine-1-carboxylate
CID 97175781
tert-butyl (3R)-3-[1-(furan-2-yl)ethylamino]piperidine-1-carboxylate
CID 71633316
(2S)-4-[hydroxy(pyridin-2-yl)methyl]-5-oxopyrrolidine-1,2-dicarboxylic acid
CID 151367780
tert-butyl 3-[[[2-(furan-2-yl)-2-hydroxyethyl]amino]methyl]piperidine-1-carboxylate
CID 111579071
tert-butyl (2R)-2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-oxo-2H-pyrrole-1-carboxylate
CID 101499858

Frequently Asked Questions

What is the IUPAC name of 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid (CID 70366074) is 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid is CC(C)(C)OC(=O)N1C(=O)C(C(O)c2ccco2)CC1C(=O)O.
What is the InChIKey of 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is IPVKNMOOYOMBAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO7/c1-15(2,3)23-14(21)16-9(13(19)20)7-8(12(16)18)11(17)10-5-4-6-22-10/h4-6,8-9,11,17H,7H2,1-3H3,(H,19,20).
What are the key properties of 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid?
4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[furan-2-yl(hydroxy)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70366074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).