methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate

C14H20N2O4 — CID 60931463

IUPACmethyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)CN2CCCC2=O)o1
InChIInChI=1S/C14H20N2O4/c1-10(9-16-7-3-4-13(16)17)15-8-11-5-6-12(20-11)14(18)19-2/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyMCFPGOMJNZOGNM-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.17
Rot. Bonds6

About methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate

methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate (PubChem CID 60931463) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate
PubChem CID60931463
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(CNC(C)CN2CCCC2=O)o1
InChIInChI=1S/C14H20N2O4/c1-10(9-16-7-3-4-13(16)17)15-8-11-5-6-12(20-11)14(18)19-2/h5-6,10,15H,3-4,7-9H2,1-2H3
InChIKeyMCFPGOMJNZOGNM-UHFFFAOYSA-N
XLogP1.17
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 5-[(butan-2-ylamino)methyl]furan-2-carboxylate chloride
CID 53314358
1-[2-[[5-(2-methylcyclopropyl)furan-2-yl]methylamino]propyl]pyrrolidin-2-one
CID 60935255
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[2-[(1-methyl-2,3-dihydroindol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 62096164
methyl 5-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]furan-2-carboxylate
CID 62994593
methyl 5-[[(1-morpholin-4-yl-1-oxopropan-2-yl)amino]methyl]furan-2-carboxylate
CID 115628854
methyl 2-methyl-5-[[[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]carbamoylamino]methyl]furan-3-carboxylate
CID 94661382
methyl 5-[[(2-oxo-2-pyrrolidin-1-ylethyl)amino]methyl]furan-2-carboxylate
CID 112684787
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
methyl 5-[(1,3-dihydroxypropan-2-ylamino)methyl]furan-2-carboxylate
CID 65314992
4-[2-methoxy-5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]phenoxy]butanenitrile
CID 49248820

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate (CID 60931463) is methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate is COC(=O)c1ccc(CNC(C)CN2CCCC2=O)o1.
What is the InChIKey of methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate?
The InChIKey is MCFPGOMJNZOGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-10(9-16-7-3-4-13(16)17)15-8-11-5-6-12(20-11)14(18)19-2/h5-6,10,15H,3-4,7-9H2,1-2H3.
What are the key properties of methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate?
methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]methyl]furan-2-carboxylate is sourced from PubChem (CID 60931463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).