dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate

C19H20N2O8S — CID 2571589

IUPACdimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C19H20N2O8S/c1-26-18(24)14-12(15(19(25)27-2)30-16(14)20)9-29-17(23)10-6-13(22)21(7-10)8-11-4-3-5-28-11/h3-5,10H,6-9,20H2,1-2H3/t10-/m0/s1
InChIKeyDMANTVHHICZKIV-JTQLQIEISA-N
MW436.44 g/mol
LogP1.59
Rot. Bonds7

About dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate

dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate (PubChem CID 2571589) has the molecular formula C19H20N2O8S and a molecular weight of 436.44 g/mol. Its IUPAC name is dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate
PubChem CID2571589
Molecular FormulaC19H20N2O8S
Molecular Weight436.44 g/mol
Exact Mass436.09
IUPAC Namedimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate
SMILESCOC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1
InChIInChI=1S/C19H20N2O8S/c1-26-18(24)14-12(15(19(25)27-2)30-16(14)20)9-29-17(23)10-6-13(22)21(7-10)8-11-4-3-5-28-11/h3-5,10H,6-9,20H2,1-2H3/t10-/m0/s1
InChIKeyDMANTVHHICZKIV-JTQLQIEISA-N
XLogP1.59
TPSA138.37 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.44
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate 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 (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
(3-fluoro-4-methoxyphenyl)methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7576658
[2-(2-methoxyanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7579265
(3,4-dichlorophenyl)methyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7577913
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
[2-(2,6-diethylanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7578870
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 97264226
phenyl (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 8765226
[2-[[3-ethoxycarbonyl-4-methyl-5-(methylcarbamoyl)thiophen-2-yl]amino]-2-oxoethyl] (3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 40943907
methyl 5-[(2S)-2-[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxypropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 7577794
cyclohex-3-en-1-ylmethyl 1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 78780948
[2-(2-ethyl-6-methylanilino)-2-oxoethyl] (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 7554004

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate?
The IUPAC name of dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate (CID 2571589) is dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate.
What is the SMILES notation for dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate?
The canonical SMILES for dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate is COC(=O)c1sc(N)c(C(=O)OC)c1COC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1.
What is the InChIKey of dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate?
The InChIKey is DMANTVHHICZKIV-JTQLQIEISA-N. The full InChI is InChI=1S/C19H20N2O8S/c1-26-18(24)14-12(15(19(25)27-2)30-16(14)20)9-29-17(23)10-6-13(22)21(7-10)8-11-4-3-5-28-11/h3-5,10H,6-9,20H2,1-2H3/t10-/m0/s1.
What are the key properties of dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate?
dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate has a molecular weight of 436.44 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-amino-3-[[(3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]oxymethyl]thiophene-2,4-dicarboxylate is sourced from PubChem (CID 2571589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).