(2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid

C12H13N3O5S — CID 122069616

IUPAC(2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)O
InChIInChI=1S/C12H13N3O5S/c1-6(12(16)17)15-21(18,19)8-4-9-10(7-2-3-7)14-20-11(9)13-5-8/h4-7,15H,2-3H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeySMWWIRWVRSVJLL-ZCFIWIBFSA-N
MW311.32 g/mol
LogP0.85
Rot. Bonds5

About (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid

(2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid (PubChem CID 122069616) has the molecular formula C12H13N3O5S and a molecular weight of 311.32 g/mol. Its IUPAC name is (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid
PubChem CID122069616
Molecular FormulaC12H13N3O5S
Molecular Weight311.32 g/mol
Exact Mass311.06
IUPAC Name(2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid
SMILESC[C@@H](NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)O
InChIInChI=1S/C12H13N3O5S/c1-6(12(16)17)15-21(18,19)8-4-9-10(7-2-3-7)14-20-11(9)13-5-8/h4-7,15H,2-3H2,1H3,(H,16,17)/t6-/m1/s1
InChIKeySMWWIRWVRSVJLL-ZCFIWIBFSA-N
XLogP0.85
TPSA122.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid with MolForge

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Related Compounds

3-propan-2-yl-N-[1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931700
3-Methyl-(1,2)oxazolo(5,4-b)pyridine-5-sulfonyl chloride
CID 47003044
5-(4,4-Dimethylazepan-1-yl)sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 71997371
3-Methyl-5-[(4-propyl-1,4-diazepan-1-yl)sulfonyl]-[1,2]oxazolo[5,4-b]pyridine
CID 72008769
5-[(4-Ethyl-1,4-diazepan-1-yl)sulfonyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 72023087
5-(3-Ethylpiperidin-1-yl)sulfonyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine
CID 72024685
3-Cyclopropyl-(1,2)oxazolo(5,4-b)pyridine-5-sulfonyl chloride
CID 71757015
3-Ethyl-(1,2)oxazolo(5,4-b)pyridine-5-sulfonyl chloride
CID 71757016
3-Phenyl-[1,2]oxazolo[5,4-b]pyridine-5-sulfonyl chloride
CID 71757017
3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 25521651
3-ethyl-5-[(2R)-2-(4-ethylphenyl)piperazin-1-yl]sulfonyl-[1,2]oxazolo[5,4-b]pyridine
CID 124734071
3-methyl-N-(2-pentan-3-yloxan-4-yl)-[1,2]oxazolo[5,4-b]pyridine-5-sulfonamide
CID 132358029

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid?
The IUPAC name of (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid (CID 122069616) is (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid?
The canonical SMILES for (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid is C[C@@H](NS(=O)(=O)c1cnc2onc(C3CC3)c2c1)C(=O)O.
What is the InChIKey of (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid?
The InChIKey is SMWWIRWVRSVJLL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C12H13N3O5S/c1-6(12(16)17)15-21(18,19)8-4-9-10(7-2-3-7)14-20-11(9)13-5-8/h4-7,15H,2-3H2,1H3,(H,16,17)/t6-/m1/s1.
What are the key properties of (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid?
(2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid has a molecular weight of 311.32 g/mol, XLogP of 0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-cyclopropyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)sulfonylamino]propanoic acid is sourced from PubChem (CID 122069616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).