[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate

C13H15N3O6 — CID 31556976

IUPAC[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESCc1cc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)CCC2=O)no1
InChIInChI=1S/C13H15N3O6/c1-7-5-9(15-22-7)14-13(20)8(2)21-12(19)6-16-10(17)3-4-11(16)18/h5,8H,3-4,6H2,1-2H3,(H,14,15,20)/t8-/m1/s1
InChIKeyROTBIUVOSZJOBL-MRVPVSSYSA-N
MW309.28 g/mol
LogP0.00
Rot. Bonds5

About [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate

[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate (PubChem CID 31556976) has the molecular formula C13H15N3O6 and a molecular weight of 309.28 g/mol. Its IUPAC name is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate.

Molecular Properties

Compound Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
PubChem CID31556976
Molecular FormulaC13H15N3O6
Molecular Weight309.28 g/mol
Exact Mass309.10
IUPAC Name[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
SMILESCc1cc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)CCC2=O)no1
InChIInChI=1S/C13H15N3O6/c1-7-5-9(15-22-7)14-13(20)8(2)21-12(19)6-16-10(17)3-4-11(16)18/h5,8H,3-4,6H2,1-2H3,(H,14,15,20)/t8-/m1/s1
InChIKeyROTBIUVOSZJOBL-MRVPVSSYSA-N
XLogP0.00
TPSA118.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.28
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate
CID 31556979
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8572273
[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
CID 30489995
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(4-methylphenoxy)acetate
CID 30489992
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 8544960
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3,5-dimethylbenzoate
CID 41013626
[(2S)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl] 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
CID 7466725
[(2S)-1-(2,6-dimethylanilino)-1-oxopropan-2-yl] 2-[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 8858502
[(2S)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 2-[(2S)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 40607845
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 3-(2-methylphenoxy)propanoate
CID 46672181
bis[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] pyridine-2,6-dicarboxylate
CID 27380722
[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 4-thiophen-2-ylbutanoate
CID 46623607

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The IUPAC name of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate (CID 31556976) is [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate.
What is the SMILES notation for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The canonical SMILES for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate is Cc1cc(NC(=O)[C@@H](C)OC(=O)CN2C(=O)CCC2=O)no1.
What is the InChIKey of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
The InChIKey is ROTBIUVOSZJOBL-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15N3O6/c1-7-5-9(15-22-7)14-13(20)8(2)21-12(19)6-16-10(17)3-4-11(16)18/h5,8H,3-4,6H2,1-2H3,(H,14,15,20)/t8-/m1/s1.
What are the key properties of [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate?
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate has a molecular weight of 309.28 g/mol, XLogP of 0.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-(2,5-dioxopyrrolidin-1-yl)acetate is sourced from PubChem (CID 31556976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).