[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

C11H15N3O4 — CID 17480637

IUPAC[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)NC1CC1
InChIInChI=1S/C11H15N3O4/c1-5-8(9(12)18-14-5)11(16)17-6(2)10(15)13-7-3-4-7/h6-7H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyUXGDHMZBTTZZDB-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.39
Rot. Bonds4

About [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate

[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (PubChem CID 17480637) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.

Molecular Properties

Compound Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
PubChem CID17480637
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate
SMILESCc1noc(N)c1C(=O)OC(C)C(=O)NC1CC1
InChIInChI=1S/C11H15N3O4/c1-5-8(9(12)18-14-5)11(16)17-6(2)10(15)13-7-3-4-7/h6-7H,3-4,12H2,1-2H3,(H,13,15)
InChIKeyUXGDHMZBTTZZDB-UHFFFAOYSA-N
XLogP0.39
TPSA107.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The IUPAC name of [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate (CID 17480637) is [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate.
What is the SMILES notation for [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The canonical SMILES for [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is Cc1noc(N)c1C(=O)OC(C)C(=O)NC1CC1.
What is the InChIKey of [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
The InChIKey is UXGDHMZBTTZZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-5-8(9(12)18-14-5)11(16)17-6(2)10(15)13-7-3-4-7/h6-7H,3-4,12H2,1-2H3,(H,13,15).
What are the key properties of [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate?
[1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylamino)-1-oxopropan-2-yl] 5-amino-3-methyl-1,2-oxazole-4-carboxylate is sourced from PubChem (CID 17480637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).