2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid

C11H12N2O6S — CID 43245029

IUPAC2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)O
InChIInChI=1S/C11H12N2O6S/c1-6(10(14)15)12-20(17,18)7-3-4-8-9(5-7)19-11(16)13(8)2/h3-6,12H,1-2H3,(H,14,15)
InChIKeyYOFCTCBBGNKTIS-UHFFFAOYSA-N
MW300.29 g/mol
LogP-0.12
Rot. Bonds4

About 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid

2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid (PubChem CID 43245029) has the molecular formula C11H12N2O6S and a molecular weight of 300.29 g/mol. Its IUPAC name is 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
PubChem CID43245029
Molecular FormulaC11H12N2O6S
Molecular Weight300.29 g/mol
Exact Mass300.04
IUPAC Name2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid
SMILESCC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)O
InChIInChI=1S/C11H12N2O6S/c1-6(10(14)15)12-20(17,18)7-3-4-8-9(5-7)19-11(16)13(8)2/h3-6,12H,1-2H3,(H,14,15)
InChIKeyYOFCTCBBGNKTIS-UHFFFAOYSA-N
XLogP-0.12
TPSA118.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-oxo-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 110347522
3-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110347824
3-methyl-2-oxo-N-[(2R)-pentan-2-yl]-1,3-benzoxazole-6-sulfonamide
CID 92648175
2-methyl-N'-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]propanehydrazide
CID 30713545
3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]butanoic acid
CID 154582026
N-[1-(2,4-difluorophenyl)ethyl]-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 55558604
(2R)-2-[(1,3-dimethyl-2,4-dioxoquinazolin-6-yl)sulfonylamino]propanoic acid
CID 51983971
N-(2,3-dihydroxypropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 66176261
N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 119983081
(2R)-3-methyl-2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]-N-(4-propan-2-ylphenyl)butanamide
CID 92665536
N-(1-amino-4-methylpentan-2-yl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide;hydrochloride
CID 119983080
N-(2-aminopropyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 63731478

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid?
The IUPAC name of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid (CID 43245029) is 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid?
The canonical SMILES for 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid is CC(NS(=O)(=O)c1ccc2c(c1)oc(=O)n2C)C(=O)O.
What is the InChIKey of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid?
The InChIKey is YOFCTCBBGNKTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O6S/c1-6(10(14)15)12-20(17,18)7-3-4-8-9(5-7)19-11(16)13(8)2/h3-6,12H,1-2H3,(H,14,15).
What are the key properties of 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid?
2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid has a molecular weight of 300.29 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 43245029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).