2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid

C9H13N3O6S — CID 43386685

IUPAC2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H13N3O6S/c1-5-9(6(2)18-12-5)19(16,17)11-3-7(13)10-4-8(14)15/h11H,3-4H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyMJFWPVAZFKQVAF-UHFFFAOYSA-N
MW291.29 g/mol
LogP-1.23
Rot. Bonds6

About 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid

2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid (PubChem CID 43386685) has the molecular formula C9H13N3O6S and a molecular weight of 291.29 g/mol. Its IUPAC name is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
PubChem CID43386685
Molecular FormulaC9H13N3O6S
Molecular Weight291.29 g/mol
Exact Mass291.05
IUPAC Name2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid
SMILESCc1noc(C)c1S(=O)(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C9H13N3O6S/c1-5-9(6(2)18-12-5)19(16,17)11-3-7(13)10-4-8(14)15/h11H,3-4H2,1-2H3,(H,10,13)(H,14,15)
InChIKeyMJFWPVAZFKQVAF-UHFFFAOYSA-N
XLogP-1.23
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 5-1.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid (CID 43386685) is 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid is Cc1noc(C)c1S(=O)(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
The InChIKey is MJFWPVAZFKQVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O6S/c1-5-9(6(2)18-12-5)19(16,17)11-3-7(13)10-4-8(14)15/h11H,3-4H2,1-2H3,(H,10,13)(H,14,15).
What are the key properties of 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid?
2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid has a molecular weight of 291.29 g/mol, XLogP of -1.23, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]acetyl]amino]acetic acid is sourced from PubChem (CID 43386685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).