benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate

C76H88N8O24 — CID 158180191

IUPACbenzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCCO[C@@H]1OC(=O)C=C1NC(=O)C1CCCN1C(=O)OCc1ccccc1.CCO[C@@H]1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.CCO[C@H]1OC(=O)C=C1NC(=O)C1CCCN1C(=O)OCc1ccccc1.CCO[C@H]1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/4C19H22N2O6/c4*1-2-25-18-14(11-16(22)27-18)20-17(23)15-9-6-10-21(15)19(24)26-12-13-7-4-3-5-8-13/h4*3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3,(H,20,23)/t2*15?,18-;15-,18+;15-,18-/m1000/s1
InChIKeyFYMJZQOKZAOXQH-ZTTJTZNOSA-N
MW1497.57 g/mol
LogP6.83
Rot. Bonds24

About benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate

benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 158180191) has the molecular formula C76H88N8O24 and a molecular weight of 1497.57 g/mol. Its IUPAC name is benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
PubChem CID158180191
Molecular FormulaC76H88N8O24
Molecular Weight1497.57 g/mol
Exact Mass1496.59
IUPAC Namebenzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
SMILESCCO[C@@H]1OC(=O)C=C1NC(=O)C1CCCN1C(=O)OCc1ccccc1.CCO[C@@H]1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.CCO[C@H]1OC(=O)C=C1NC(=O)C1CCCN1C(=O)OCc1ccccc1.CCO[C@H]1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/4C19H22N2O6/c4*1-2-25-18-14(11-16(22)27-18)20-17(23)15-9-6-10-21(15)19(24)26-12-13-7-4-3-5-8-13/h4*3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3,(H,20,23)/t2*15?,18-;15-,18+;15-,18-/m1000/s1
InChIKeyFYMJZQOKZAOXQH-ZTTJTZNOSA-N
XLogP6.83
TPSA376.68 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001497.57
LogP ≤ 56.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate with MolForge

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Related Compounds

benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 59730811
(2R)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylic acid
CID 154111425
benzyl 2-[(5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
CID 70640663
benzyl 2-[(4-ethoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 3127517
benzyl (2S)-2-(cyclopentylcarbamoyl)pyrrolidine-1-carboxylate
CID 759070
benzyl 2-[(4-iodophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 46502069
benzyl 2-[(4-hydroxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 84577175
benzyl (2S)-2-[[(2R,3S)-2-butoxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2S,3S)-2-butoxy-5-oxooxolan-3-yl]carbamoyl]pyrrolidine-1-carboxylate
CID 157090738
benzyl 2-[(4-tert-butylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 91182280
ethyl (2S)-2-(benzylcarbamoyl)pyrrolidine-1-carboxylate
CID 110286155
benzyl (2S)-2-(aminomethylcarbamoyl)pyrrolidine-1-carboxylate
CID 90822117
benzyl 2-[(2-hydroxy-4-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 4087511

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate (CID 158180191) is benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate is CCO[C@@H]1OC(=O)C=C1NC(=O)C1CCCN1C(=O)OCc1ccccc1.CCO[C@@H]1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.CCO[C@H]1OC(=O)C=C1NC(=O)C1CCCN1C(=O)OCc1ccccc1.CCO[C@H]1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is FYMJZQOKZAOXQH-ZTTJTZNOSA-N. The full InChI is InChI=1S/4C19H22N2O6/c4*1-2-25-18-14(11-16(22)27-18)20-17(23)15-9-6-10-21(15)19(24)26-12-13-7-4-3-5-8-13/h4*3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3,(H,20,23)/t2*15?,18-;15-,18+;15-,18-/m1000/s1.
What are the key properties of benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 1497.57 g/mol, XLogP of 6.83, 24 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl (2S)-2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2R)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate;benzyl 2-[[(2S)-2-ethoxy-5-oxo-2H-furan-3-yl]carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 158180191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).