2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid

C10H15N3O6S — CID 43169506

IUPAC2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-3-5(2)7(9(15)16)13-20(18,19)6-4-11-10(17)12-8(6)14/h4-5,7,13H,3H2,1-2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyPUVMILNCXHUGMK-UHFFFAOYSA-N
MW305.31 g/mol
LogP-1.16
Rot. Bonds6

About 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid

2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid (PubChem CID 43169506) has the molecular formula C10H15N3O6S and a molecular weight of 305.31 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid
PubChem CID43169506
Molecular FormulaC10H15N3O6S
Molecular Weight305.31 g/mol
Exact Mass305.07
IUPAC Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid
SMILESCCC(C)C(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C10H15N3O6S/c1-3-5(2)7(9(15)16)13-20(18,19)6-4-11-10(17)12-8(6)14/h4-5,7,13H,3H2,1-2H3,(H,15,16)(H2,11,12,14,17)
InChIKeyPUVMILNCXHUGMK-UHFFFAOYSA-N
XLogP-1.16
TPSA149.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 5-1.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid (CID 43169506) is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid is CCC(C)C(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid?
The InChIKey is PUVMILNCXHUGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O6S/c1-3-5(2)7(9(15)16)13-20(18,19)6-4-11-10(17)12-8(6)14/h4-5,7,13H,3H2,1-2H3,(H,15,16)(H2,11,12,14,17).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid?
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid has a molecular weight of 305.31 g/mol, XLogP of -1.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-3-methylpentanoic acid is sourced from PubChem (CID 43169506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).