(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid

C13H15N3O6S — CID 51983971

IUPAC(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O
InChIInChI=1S/C13H15N3O6S/c1-7(12(18)19)14-23(21,22)8-4-5-10-9(6-8)11(17)16(3)13(20)15(10)2/h4-7,14H,1-3H3,(H,18,19)/t7-/m1/s1
InChIKeyFYLZOACXBMZOBR-SSDOTTSWSA-N
MW341.35 g/mol
LogP-1.01
Rot. Bonds4

About (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid

(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid (PubChem CID 51983971) has the molecular formula C13H15N3O6S and a molecular weight of 341.35 g/mol. Its IUPAC name is (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
PubChem CID51983971
Molecular FormulaC13H15N3O6S
Molecular Weight341.35 g/mol
Exact Mass341.07
IUPAC Name(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O
InChIInChI=1S/C13H15N3O6S/c1-7(12(18)19)14-23(21,22)8-4-5-10-9(6-8)11(17)16(3)13(20)15(10)2/h4-7,14H,1-3H3,(H,18,19)/t7-/m1/s1
InChIKeyFYLZOACXBMZOBR-SSDOTTSWSA-N
XLogP-1.01
TPSA127.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 5-1.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid with MolForge

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Related Compounds

2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]acetic acid
CID 46786417
1,3-dimethyl-2,4-dioxoquinazoline-6-sulfonic acid
CID 22642050
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
CID 43245029
(2S)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(4-propan-2-ylphenyl)acetamide
CID 92665671
(2R)-2-[(1,3-dimethyl-2-oxobenzimidazol-5-yl)sulfonylamino]-N-ethylpropanamide
CID 94380917
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-2-phenyl-N-(2-phenylethyl)acetamide
CID 20865889
3-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N,N-bis(2-methylpropyl)propanamide
CID 46257551
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 20865885
1,3-dimethyl-N-(1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl)-2,4-dioxoquinazoline-6-sulfonamide
CID 20865863
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-N-(3-fluorophenyl)-3-phenylpropanamide
CID 20865843
2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]-3-phenyl-N-(thiophen-2-ylmethyl)propanamide
CID 20865859
N-butan-2-yl-1-methyl-2,4-dioxo-3-(3-oxo-3-pyrrolidin-1-ylpropyl)quinazoline-6-sulfonamide
CID 50831994

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid (CID 51983971) is (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1ccc2c(c1)c(=O)n(C)c(=O)n2C)C(=O)O.
What is the InChIKey of (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid?
The InChIKey is FYLZOACXBMZOBR-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H15N3O6S/c1-7(12(18)19)14-23(21,22)8-4-5-10-9(6-8)11(17)16(3)13(20)15(10)2/h4-7,14H,1-3H3,(H,18,19)/t7-/m1/s1.
What are the key properties of (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid?
(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid has a molecular weight of 341.35 g/mol, XLogP of -1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 51983971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).