methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate

C10H15N3O7S — CID 43624369

IUPACmethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O7S/c1-12-4-7(8(15)13(2)10(12)17)21(18,19)11-6(5-14)9(16)20-3/h4,6,11,14H,5H2,1-3H3
InChIKeyQIQXDDYDGBJGSS-UHFFFAOYSA-N
MW321.31 g/mol
LogP-3.10
Rot. Bonds5

About methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate

methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate (PubChem CID 43624369) has the molecular formula C10H15N3O7S and a molecular weight of 321.31 g/mol. Its IUPAC name is methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate.

Molecular Properties

Compound Namemethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
PubChem CID43624369
Molecular FormulaC10H15N3O7S
Molecular Weight321.31 g/mol
Exact Mass321.06
IUPAC Namemethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate
SMILESCOC(=O)C(CO)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H15N3O7S/c1-12-4-7(8(15)13(2)10(12)17)21(18,19)11-6(5-14)9(16)20-3/h4,6,11,14H,5H2,1-3H3
InChIKeyQIQXDDYDGBJGSS-UHFFFAOYSA-N
XLogP-3.10
TPSA136.70 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 5-3.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate with MolForge

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Related Compounds

(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935018
N-[(2R)-1-hydroxybutan-2-yl]-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 93084014
(2S)-2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]pentanoic acid
CID 104934852
N-(4-aminobutan-2-yl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 62094209
N-methoxy-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 60700424
1,3-dimethyl-2,4-dioxo-N-pent-4-yn-2-ylpyrimidine-5-sulfonamide
CID 113245393
N-(4-hydroxybutyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 106843925
N-(2-amino-2-methylpropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide;hydrochloride
CID 119988336
methyl 2-[(2,5-dibromothiophen-3-yl)sulfonylamino]-3-hydroxypropanoate
CID 43624311
ethyl 4-[[(2S)-3-hydroxy-1-methoxy-1-oxopropan-2-yl]sulfamoyl]-1-methylpyrrole-2-carboxylate
CID 97306609
methyl 2-[(4-bromo-2-chlorophenyl)sulfonylamino]-3-hydroxypropanoate
CID 43405405
methyl (2S)-3-hydroxy-2-[[2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylamino]propanoate
CID 75443856

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate?
The IUPAC name of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate (CID 43624369) is methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate.
What is the SMILES notation for methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate?
The canonical SMILES for methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate is COC(=O)C(CO)NS(=O)(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate?
The InChIKey is QIQXDDYDGBJGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O7S/c1-12-4-7(8(15)13(2)10(12)17)21(18,19)11-6(5-14)9(16)20-3/h4,6,11,14H,5H2,1-3H3.
What are the key properties of methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate?
methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate has a molecular weight of 321.31 g/mol, XLogP of -3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]-3-hydroxypropanoate is sourced from PubChem (CID 43624369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).