5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid

C11H14N2O6 — CID 82786221

IUPAC5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1cnoc1C)C(=O)O
InChIInChI=1S/C11H14N2O6/c1-6-7(5-12-19-6)10(15)13-8(11(16)17)3-4-9(14)18-2/h5,8H,3-4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLAORKZJQVWWBPE-UHFFFAOYSA-N
MW270.24 g/mol
LogP0.12
Rot. Bonds6

About 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid

5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid (PubChem CID 82786221) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
PubChem CID82786221
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid
SMILESCOC(=O)CCC(NC(=O)c1cnoc1C)C(=O)O
InChIInChI=1S/C11H14N2O6/c1-6-7(5-12-19-6)10(15)13-8(11(16)17)3-4-9(14)18-2/h5,8H,3-4H2,1-2H3,(H,13,15)(H,16,17)
InChIKeyLAORKZJQVWWBPE-UHFFFAOYSA-N
XLogP0.12
TPSA118.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]hexanedioic acid
CID 114006151
5-methoxy-2-[(2-methylfuran-3-carbonyl)amino]-5-oxopentanoic acid
CID 82786310
(2R)-4-methyl-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]pentanoic acid
CID 30053503
2-[(2-chlorofuran-3-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 106683604
(2R)-2-[(3,6-dimethylpyridazine-4-carbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820929
(2R)-5-methoxy-2-[(2-methylpyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820710
(2R)-2-[(2-hydroxybenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820728
2-[(2,4-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780822
(2R)-2-[(2,5-dimethylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 107820629
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82780387
3-(1H-imidazol-5-yl)-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 16774910
(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820927

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid?
The IUPAC name of 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid (CID 82786221) is 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid.
What is the SMILES notation for 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid?
The canonical SMILES for 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid is COC(=O)CCC(NC(=O)c1cnoc1C)C(=O)O.
What is the InChIKey of 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid?
The InChIKey is LAORKZJQVWWBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c1-6-7(5-12-19-6)10(15)13-8(11(16)17)3-4-9(14)18-2/h5,8H,3-4H2,1-2H3,(H,13,15)(H,16,17).
What are the key properties of 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid?
5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid has a molecular weight of 270.24 g/mol, XLogP of 0.12, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-5-oxopentanoic acid is sourced from PubChem (CID 82786221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).