benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

C17H19NO4 — CID 15681095

IUPACbenzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCC1=C[C@H]([C@H]2CCCN2C(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C17H19NO4/c1-12-10-15(22-16(12)19)14-8-5-9-18(14)17(20)21-11-13-6-3-2-4-7-13/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3/t14-,15-/m1/s1
InChIKeyDMSPXOMMJLVUHO-HUUCEWRRSA-N
MW301.34 g/mol
LogP2.66
Rot. Bonds3

About benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate

benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (PubChem CID 15681095) has the molecular formula C17H19NO4 and a molecular weight of 301.34 g/mol. Its IUPAC name is benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
PubChem CID15681095
Molecular FormulaC17H19NO4
Molecular Weight301.34 g/mol
Exact Mass301.13
IUPAC Namebenzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate
SMILESCC1=C[C@H]([C@H]2CCCN2C(=O)OCc2ccccc2)OC1=O
InChIInChI=1S/C17H19NO4/c1-12-10-15(22-16(12)19)14-8-5-9-18(14)17(20)21-11-13-6-3-2-4-7-13/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3/t14-,15-/m1/s1
InChIKeyDMSPXOMMJLVUHO-HUUCEWRRSA-N
XLogP2.66
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 237192
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2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
Benzyl (2R,4R)-4-methyl-5-oxo-2-phenyl-1,3-oxazolidine-3-carboxylate
CID 10566995
(3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 9972080
(3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 44351104
Benzoic acid [(2S)-1-methylpyrrolidine-2-yl]methyl ester
CID 73351944
Ephedroxane
CID 161171
benzyl N-butyl-N-[(5-oxo-3-pyrrolidin-1-yl-2H-furan-4-yl)methyl]carbamate
CID 44142256
{1-[(Tetrahydro-furan-2-ylmethyl)-carbamoyl]-ethyl}-carbamic acid benzyl ester
CID 655785
benzyl 2-[(1E)-3-(morpholin-4-yl)prop-1-en-1-yl]pyrrolidine-1-carboxylate
CID 6373779

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate (CID 15681095) is benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is CC1=C[C@H]([C@H]2CCCN2C(=O)OCc2ccccc2)OC1=O.
What is the InChIKey of benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is DMSPXOMMJLVUHO-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H19NO4/c1-12-10-15(22-16(12)19)14-8-5-9-18(14)17(20)21-11-13-6-3-2-4-7-13/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3/t14-,15-/m1/s1.
What are the key properties of benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate?
benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[(2R)-4-methyl-5-oxo-2H-furan-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 15681095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).