4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid

C15H20N4O6S — CID 120660404

IUPAC4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)O
InChIInChI=1S/C15H20N4O6S/c1-8(2)4-9(14(21)22)6-17-26(24,25)10-5-11-12(16-7-10)19(3)15(23)18-13(11)20/h5,7-9,17H,4,6H2,1-3H3,(H,21,22)(H,18,20,23)
InChIKeyGVLVCXHQYMOBTP-UHFFFAOYSA-N
MW384.41 g/mol
LogP-0.35
Rot. Bonds7

About 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid

4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid (PubChem CID 120660404) has the molecular formula C15H20N4O6S and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid
PubChem CID120660404
Molecular FormulaC15H20N4O6S
Molecular Weight384.41 g/mol
Exact Mass384.11
IUPAC Name4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid
SMILESCC(C)CC(CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)O
InChIInChI=1S/C15H20N4O6S/c1-8(2)4-9(14(21)22)6-17-26(24,25)10-5-11-12(16-7-10)19(3)15(23)18-13(11)20/h5,7-9,17H,4,6H2,1-3H3,(H,21,22)(H,18,20,23)
InChIKeyGVLVCXHQYMOBTP-UHFFFAOYSA-N
XLogP-0.35
TPSA151.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid (CID 120660404) is 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid is CC(C)CC(CNS(=O)(=O)c1cnc2c(c1)c(=O)[nH]c(=O)n2C)C(=O)O.
What is the InChIKey of 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid?
The InChIKey is GVLVCXHQYMOBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O6S/c1-8(2)4-9(14(21)22)6-17-26(24,25)10-5-11-12(16-7-10)19(3)15(23)18-13(11)20/h5,7-9,17H,4,6H2,1-3H3,(H,21,22)(H,18,20,23).
What are the key properties of 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid?
4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid has a molecular weight of 384.41 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[(1-methyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl)sulfonylamino]methyl]pentanoic acid is sourced from PubChem (CID 120660404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).