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

C11H15N3O6S — CID 82763494

IUPAC2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O6S/c1-11(9(16)17)4-2-3-7(11)14-21(19,20)6-5-12-10(18)13-8(6)15/h5,7,14H,2-4H2,1H3,(H,16,17)(H2,12,13,15,18)
InChIKeyGEPVMXCAOZCXCL-UHFFFAOYSA-N
MW317.32 g/mol
LogP-1.02
Rot. Bonds4

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

2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 82763494) has the molecular formula C11H15N3O6S and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID82763494
Molecular FormulaC11H15N3O6S
Molecular Weight317.32 g/mol
Exact Mass317.07
IUPAC Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O6S/c1-11(9(16)17)4-2-3-7(11)14-21(19,20)6-5-12-10(18)13-8(6)15/h5,7,14H,2-4H2,1H3,(H,16,17)(H2,12,13,15,18)
InChIKeyGEPVMXCAOZCXCL-UHFFFAOYSA-N
XLogP-1.02
TPSA149.19 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-1.02
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]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid (CID 82763494) is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is GEPVMXCAOZCXCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6S/c1-11(9(16)17)4-2-3-7(11)14-21(19,20)6-5-12-10(18)13-8(6)15/h5,7,14H,2-4H2,1H3,(H,16,17)(H2,12,13,15,18).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 317.32 g/mol, XLogP of -1.02, 4 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]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 82763494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).