2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid

C13H16N2O6 — CID 82780615

IUPAC2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1cc(C2CC2)on1)C(=O)O
InChIInChI=1S/C13H16N2O6/c1-20-11(16)5-4-8(13(18)19)14-12(17)9-6-10(21-15-9)7-2-3-7/h6-8H,2-5H2,1H3,(H,14,17)(H,18,19)
InChIKeyBQOUUOJPQFOUKZ-UHFFFAOYSA-N
MW296.28 g/mol
LogP0.69
Rot. Bonds7

About 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid

2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (PubChem CID 82780615) has the molecular formula C13H16N2O6 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
PubChem CID82780615
Molecular FormulaC13H16N2O6
Molecular Weight296.28 g/mol
Exact Mass296.10
IUPAC Name2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1cc(C2CC2)on1)C(=O)O
InChIInChI=1S/C13H16N2O6/c1-20-11(16)5-4-8(13(18)19)14-12(17)9-6-10(21-15-9)7-2-3-7/h6-8H,2-5H2,1H3,(H,14,17)(H,18,19)
InChIKeyBQOUUOJPQFOUKZ-UHFFFAOYSA-N
XLogP0.69
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid (CID 82780615) is 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is COC(=O)CCC(NC(=O)c1cc(C2CC2)on1)C(=O)O.
What is the InChIKey of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
The InChIKey is BQOUUOJPQFOUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O6/c1-20-11(16)5-4-8(13(18)19)14-12(17)9-6-10(21-15-9)7-2-3-7/h6-8H,2-5H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid?
2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid has a molecular weight of 296.28 g/mol, XLogP of 0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2-oxazole-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 82780615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).