methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

C11H13NO4 — CID 42579834

IUPACmethyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C11H13NO4/c1-15-11(14)8-5-10(13)12(6-8)7-9-3-2-4-16-9/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyIXRNMONLELHQRD-QMMMGPOBSA-N
MW223.23 g/mol
LogP0.80
Rot. Bonds3

About methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate

methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 42579834) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID42579834
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C11H13NO4/c1-15-11(14)8-5-10(13)12(6-8)7-9-3-2-4-16-9/h2-4,8H,5-7H2,1H3/t8-/m0/s1
InChIKeyIXRNMONLELHQRD-QMMMGPOBSA-N
XLogP0.80
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8765226
1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 50873925
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-2-methylpropanoate
CID 94094042
[2-(benzylamino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578938
dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate
CID 2571589
[2-(2,6-diethylanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578870
[(2S)-1-(methylcarbamoylamino)-1-oxopropan-2-yl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7576788
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7579265
N'-(furan-2-carbonyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbohydrazide
CID 17232608
(3-fluoro-4-methoxyphenyl)methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7576658
[(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8955915

Frequently Asked Questions

What is the IUPAC name of methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate (CID 42579834) is methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is IXRNMONLELHQRD-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-11(14)8-5-10(13)12(6-8)7-9-3-2-4-16-9/h2-4,8H,5-7H2,1H3/t8-/m0/s1.
What are the key properties of methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate?
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 223.23 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 42579834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).