3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

C23H26N2O8 — CID 55944214

IUPAC3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESO=C(OCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccco1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C23H26N2O8/c26-20(18-8-3-12-30-18)24-10-1-6-16(24)22(28)32-14-5-15-33-23(29)17-7-2-11-25(17)21(27)19-9-4-13-31-19/h3-4,8-9,12-13,16-17H,1-2,5-7,10-11,14-15H2/t16-,17-/m0/s1
InChIKeyQQUXSVSTPOUSHL-IRXDYDNUSA-N
MW458.47 g/mol
LogP2.26
Rot. Bonds8

About 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate

3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 55944214) has the molecular formula C23H26N2O8 and a molecular weight of 458.47 g/mol. Its IUPAC name is 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID55944214
Molecular FormulaC23H26N2O8
Molecular Weight458.47 g/mol
Exact Mass458.17
IUPAC Name3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
SMILESO=C(OCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccco1)[C@@H]1CCCN1C(=O)c1ccco1
InChIInChI=1S/C23H26N2O8/c26-20(18-8-3-12-30-18)24-10-1-6-16(24)22(28)32-14-5-15-33-23(29)17-7-2-11-25(17)21(27)19-9-4-13-31-19/h3-4,8-9,12-13,16-17H,1-2,5-7,10-11,14-15H2/t16-,17-/m0/s1
InChIKeyQQUXSVSTPOUSHL-IRXDYDNUSA-N
XLogP2.26
TPSA119.50 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.47
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

undecyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 91724066
tert-butyl (2R)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 81002523
[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944359
(4-pyrazol-1-ylphenyl)methyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 31805458
(2S)-1-(furan-2-carbonyl)-N-phenylmethoxypyrrolidine-2-carboxamide
CID 32581229
[2-[cyclopentyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55943703
(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 166241313
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55944091
[2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368960
butyl 4-[[1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]amino]benzoate
CID 24658807
(6-methoxynaphthalen-2-yl)methyl 1-(furan-2-carbonyl)piperidine-2-carboxylate
CID 60554533
[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] 1-(furan-2-carbonyl)pyrrolidine-2-carboxylate
CID 55368665

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate (CID 55944214) is 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is O=C(OCCCOC(=O)[C@@H]1CCCN1C(=O)c1ccco1)[C@@H]1CCCN1C(=O)c1ccco1.
What is the InChIKey of 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is QQUXSVSTPOUSHL-IRXDYDNUSA-N. The full InChI is InChI=1S/C23H26N2O8/c26-20(18-8-3-12-30-18)24-10-1-6-16(24)22(28)32-14-5-15-33-23(29)17-7-2-11-25(17)21(27)19-9-4-13-31-19/h3-4,8-9,12-13,16-17H,1-2,5-7,10-11,14-15H2/t16-,17-/m0/s1.
What are the key properties of 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate?
3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 458.47 g/mol, XLogP of 2.26, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-1-(furan-2-carbonyl)pyrrolidine-2-carbonyl]oxypropyl (2S)-1-(furan-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 55944214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).