methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate

C14H20N2O4 — CID 112730735

IUPACmethyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(C)C(=O)NCc2ccco2)C1
InChIInChI=1S/C14H20N2O4/c1-10(13(17)15-8-12-4-3-7-20-12)16-6-5-11(9-16)14(18)19-2/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyUHYJCDAJLSMEFA-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.78
Rot. Bonds5

About methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate

methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate (PubChem CID 112730735) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
PubChem CID112730735
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate
SMILESCOC(=O)C1CCN(C(C)C(=O)NCc2ccco2)C1
InChIInChI=1S/C14H20N2O4/c1-10(13(17)15-8-12-4-3-7-20-12)16-6-5-11(9-16)14(18)19-2/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,15,17)
InChIKeyUHYJCDAJLSMEFA-UHFFFAOYSA-N
XLogP0.78
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3R)-3-aminopyrrolidin-1-yl]-N-(furan-2-ylmethyl)propanamide
CID 115301891
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-2-carboxylate
CID 62026904
2-(3-formylpiperidin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 62656030
N-(furan-2-ylmethyl)-2-[3-[1-(methylamino)ethyl]piperidin-1-yl]propanamide
CID 63853927
N-(furan-2-ylmethyl)-1-[(2R)-1-(methylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxamide
CID 94821891
2-(4-cyclohexylpiperazin-1-yl)-N-(furan-2-ylmethyl)propanamide
CID 3824270
methyl 1-[2-[[2-(furan-2-ylmethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 9254514
methyl 1-[(2S)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 40740388
methyl 1-[1-(ethylamino)-1-oxopropan-2-yl]piperidine-3-carboxylate
CID 78921832
methyl 1-[3-[(1R)-1-cyano-2-(furan-2-ylmethylamino)-2-oxoethyl]quinoxalin-2-yl]piperidine-4-carboxylate
CID 40837325
2-[2-[4-(ethoxymethyl)piperidin-1-yl]propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 86946294
(2S)-2-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 95284417

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate (CID 112730735) is methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate is COC(=O)C1CCN(C(C)C(=O)NCc2ccco2)C1.
What is the InChIKey of methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate?
The InChIKey is UHYJCDAJLSMEFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(13(17)15-8-12-4-3-7-20-12)16-6-5-11(9-16)14(18)19-2/h3-4,7,10-11H,5-6,8-9H2,1-2H3,(H,15,17).
What are the key properties of methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate?
methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]pyrrolidine-3-carboxylate is sourced from PubChem (CID 112730735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).