methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate

C13H13N3O6S — CID 99802657

IUPACmethyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate
SMILESCOC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H13N3O6S/c1-8(13(19)22-2)23(20,21)15-11(17)9-7-14-10-5-3-4-6-16(10)12(9)18/h3-8H,1-2H3,(H,15,17)/t8-/m1/s1
InChIKeyFUOCFUFUEMAPPB-MRVPVSSYSA-N
MW339.33 g/mol
LogP-0.68
Rot. Bonds4

About methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate

methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate (PubChem CID 99802657) has the molecular formula C13H13N3O6S and a molecular weight of 339.33 g/mol. Its IUPAC name is methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate
PubChem CID99802657
Molecular FormulaC13H13N3O6S
Molecular Weight339.33 g/mol
Exact Mass339.05
IUPAC Namemethyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate
SMILESCOC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C13H13N3O6S/c1-8(13(19)22-2)23(20,21)15-11(17)9-7-14-10-5-3-4-6-16(10)12(9)18/h3-8H,1-2H3,(H,15,17)/t8-/m1/s1
InChIKeyFUOCFUFUEMAPPB-MRVPVSSYSA-N
XLogP-0.68
TPSA123.91 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate with MolForge

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Related Compounds

N-(3-aminobutyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119499484
N-(2-methylpropoxy)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115410125
4-oxo-N-[(4-propan-2-yloxyphenyl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 134057826
(2S,3R)-3-hydroxy-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]butanoic acid
CID 104964893
N-(1-amino-2,3-dimethylbutan-2-yl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119608872
4-oxo-N-[1-(1H-pyrazol-4-yl)ethyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 103856081
N-(4-hydroxy-2,2-dimethylpentyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111480033
(2S)-2-hydroxy-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]propanoic acid
CID 107833801
4-oxo-N-[2-(propan-2-ylcarbamoylamino)phenyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60555535
N-[2-(2-hydroxyethyl)-4-methylpentyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111662536
N-(2,6-dimethylphenyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 4575304
N,N-bis(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 71941067

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate?
The IUPAC name of methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate (CID 99802657) is methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate.
What is the SMILES notation for methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate?
The canonical SMILES for methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate is COC(=O)[C@@H](C)S(=O)(=O)NC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate?
The InChIKey is FUOCFUFUEMAPPB-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13N3O6S/c1-8(13(19)22-2)23(20,21)15-11(17)9-7-14-10-5-3-4-6-16(10)12(9)18/h3-8H,1-2H3,(H,15,17)/t8-/m1/s1.
What are the key properties of methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate?
methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate has a molecular weight of 339.33 g/mol, XLogP of -0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)sulfamoyl]propanoate is sourced from PubChem (CID 99802657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).