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

C9H12N4O7S — CID 43351322

IUPAC5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H12N4O7S/c10-6(14)2-1-4(8(16)17)13-21(19,20)5-3-11-9(18)12-7(5)15/h3-4,13H,1-2H2,(H2,10,14)(H,16,17)(H2,11,12,15,18)
InChIKeyURWMPPYWIJBQJI-UHFFFAOYSA-N
MW320.28 g/mol
LogP-2.94
Rot. Bonds7

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

5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid (PubChem CID 43351322) has the molecular formula C9H12N4O7S and a molecular weight of 320.28 g/mol. Its IUPAC name is 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid
PubChem CID43351322
Molecular FormulaC9H12N4O7S
Molecular Weight320.28 g/mol
Exact Mass320.04
IUPAC Name5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid
SMILESNC(=O)CCC(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O
InChIInChI=1S/C9H12N4O7S/c10-6(14)2-1-4(8(16)17)13-21(19,20)5-3-11-9(18)12-7(5)15/h3-4,13H,1-2H2,(H2,10,14)(H,16,17)(H2,11,12,15,18)
InChIKeyURWMPPYWIJBQJI-UHFFFAOYSA-N
XLogP-2.94
TPSA192.28 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 5-2.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid with MolForge

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Related Compounds

2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-4-methoxybutanoic acid
CID 62478269
(2S)-5-amino-2-[(2,5-difluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141194
(2S)-5-amino-2-[(2,3-dichlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141276
5-amino-2-[(2,5-dibromophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43084254
(2R)-5-amino-2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 104935522
(2R)-5-amino-2-[(4-bromo-2-chlorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 28829198
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]butanoic acid
CID 43351308
3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methoxypropanoic acid
CID 114144355
5-amino-2-[(2-chloro-4-fluorophenyl)sulfonylamino]-5-oxopentanoic acid
CID 43245034
(2S)-5-amino-2-[(2-chloro-4-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 61141634
5-amino-2-[(4-chloro-2-methylphenyl)sulfonylamino]-5-oxopentanoic acid
CID 43172869
2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-2-methylpropanoic acid
CID 61262292

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid?
The IUPAC name of 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid (CID 43351322) is 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid is NC(=O)CCC(NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O)C(=O)O.
What is the InChIKey of 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid?
The InChIKey is URWMPPYWIJBQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O7S/c10-6(14)2-1-4(8(16)17)13-21(19,20)5-3-11-9(18)12-7(5)15/h3-4,13H,1-2H2,(H2,10,14)(H,16,17)(H2,11,12,15,18).
What are the key properties of 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid?
5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid has a molecular weight of 320.28 g/mol, XLogP of -2.94, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-5-oxopentanoic acid is sourced from PubChem (CID 43351322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).