2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid

C8H11N3O6S — CID 18069956

IUPAC2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid
SMILESCn1cc(S(=O)(=O)NCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C8H11N3O6S/c1-10-4-5(7(14)11(2)8(10)15)18(16,17)9-3-6(12)13/h4,9H,3H2,1-2H3,(H,12,13)
InChIKeyAPOPIZUZAGVIGJ-UHFFFAOYSA-N
MW277.26 g/mol
LogP-2.55
Rot. Bonds4

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

2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid (PubChem CID 18069956) has the molecular formula C8H11N3O6S and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid.

Molecular Properties

Compound Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid
PubChem CID18069956
Molecular FormulaC8H11N3O6S
Molecular Weight277.26 g/mol
Exact Mass277.04
IUPAC Name2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid
SMILESCn1cc(S(=O)(=O)NCC(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C8H11N3O6S/c1-10-4-5(7(14)11(2)8(10)15)18(16,17)9-3-6(12)13/h4,9H,3H2,1-2H3,(H,12,13)
InChIKeyAPOPIZUZAGVIGJ-UHFFFAOYSA-N
XLogP-2.55
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 5-2.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265479
N,N-diethyl-2-hydroxy-6-oxo-1,6-dihydropyrimidine-5-sulfonamide
CID 43980555
Ethyl 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetate
CID 7475151
2-(5-Chlorosulfonyl-2,4-dioxopyrimidin-1-yl)acetic acid
CID 16770340
1,3-dimethyl-2,4-dioxo-N-prop-2-ynylpyrimidine-5-sulfonamide
CID 17410584
N,1,3-Trimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 17479447
N-butyl-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-sulfonamide
CID 17495959
N-Methyl-N-[(1,2,3,4-tetrahydro-1,3-dimethyl-2,4-dioxo-5-pyrimidinyl)sulfonyl]glycine
CID 20115081
3-[(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]propanoic acid
CID 20117612
2-[(1,3-Dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]propanoic acid
CID 20120109
N-(2-aminoethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 20121551
2-[5-(Dimethylsulfamoyl)-2,4-dioxopyrimidin-1-yl]acetic acid
CID 24694160

Frequently Asked Questions

What is the IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid?
The IUPAC name of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid (CID 18069956) is 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid.
What is the SMILES notation for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid?
The canonical SMILES for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid is Cn1cc(S(=O)(=O)NCC(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid?
The InChIKey is APOPIZUZAGVIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6S/c1-10-4-5(7(14)11(2)8(10)15)18(16,17)9-3-6(12)13/h4,9H,3H2,1-2H3,(H,12,13).
What are the key properties of 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid?
2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid has a molecular weight of 277.26 g/mol, XLogP of -2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylamino]acetic acid is sourced from PubChem (CID 18069956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).