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

C19H22N2O6 — CID 59730811

IUPACbenzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOC1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O6/c1-2-25-18-14(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/h3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3,(H,20,23)/t15-,18?/m0/s1
InChIKeyABYYATZCXRICQU-BUSXIPJBSA-N
MW374.39 g/mol
LogP1.71
Rot. Bonds6

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

benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate (PubChem CID 59730811) has the molecular formula C19H22N2O6 and a molecular weight of 374.39 g/mol. Its IUPAC name is benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
PubChem CID59730811
Molecular FormulaC19H22N2O6
Molecular Weight374.39 g/mol
Exact Mass374.15
IUPAC Namebenzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate
SMILESCCOC1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H22N2O6/c1-2-25-18-14(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/h3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3,(H,20,23)/t15-,18?/m0/s1
InChIKeyABYYATZCXRICQU-BUSXIPJBSA-N
XLogP1.71
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
(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-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate (CID 59730811) is benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate is CCOC1OC(=O)C=C1NC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
The InChIKey is ABYYATZCXRICQU-BUSXIPJBSA-N. The full InChI is InChI=1S/C19H22N2O6/c1-2-25-18-14(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/h3-5,7-8,11,15,18H,2,6,9-10,12H2,1H3,(H,20,23)/t15-,18?/m0/s1.
What are the key properties of benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate?
benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate has a molecular weight of 374.39 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(2-ethoxy-5-oxo-2H-furan-3-yl)carbamoyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 59730811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).