2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid

C8H10N4O7S — CID 43427553

IUPAC2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N4O7S/c13-5(9-3-6(14)15)2-11-20(18,19)4-1-10-8(17)12-7(4)16/h1,11H,2-3H2,(H,9,13)(H,14,15)(H2,10,12,16,17)
InChIKeyJCLWCUWOZMXBDQ-UHFFFAOYSA-N
MW306.26 g/mol
LogP-3.46
Rot. Bonds6

About 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 43427553) has the molecular formula C8H10N4O7S and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID43427553
Molecular FormulaC8H10N4O7S
Molecular Weight306.26 g/mol
Exact Mass306.03
IUPAC Name2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N4O7S/c13-5(9-3-6(14)15)2-11-20(18,19)4-1-10-8(17)12-7(4)16/h1,11H,2-3H2,(H,9,13)(H,14,15)(H2,10,12,16,17)
InChIKeyJCLWCUWOZMXBDQ-UHFFFAOYSA-N
XLogP-3.46
TPSA178.29 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 5-3.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid (CID 43427553) is 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid is O=C(O)CNC(=O)CNS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is JCLWCUWOZMXBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O7S/c13-5(9-3-6(14)15)2-11-20(18,19)4-1-10-8(17)12-7(4)16/h1,11H,2-3H2,(H,9,13)(H,14,15)(H2,10,12,16,17).
What are the key properties of 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 306.26 g/mol, XLogP of -3.46, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 43427553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).