4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid

C12H15NO5 — CID 82010358

IUPAC4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccc(=O)oc1
InChIInChI=1S/C12H15NO5/c1-8(2-4-10(14)15)6-13-12(17)9-3-5-11(16)18-7-9/h3,5,7-8H,2,4,6H2,1H3,(H,13,17)(H,14,15)
InChIKeyNAYBNPDOMFEVEU-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.87
Rot. Bonds6

About 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid

4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid (PubChem CID 82010358) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid
PubChem CID82010358
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid
SMILESCC(CCC(=O)O)CNC(=O)c1ccc(=O)oc1
InChIInChI=1S/C12H15NO5/c1-8(2-4-10(14)15)6-13-12(17)9-3-5-11(16)18-7-9/h3,5,7-8H,2,4,6H2,1H3,(H,13,17)(H,14,15)
InChIKeyNAYBNPDOMFEVEU-UHFFFAOYSA-N
XLogP0.87
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid?
The IUPAC name of 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid (CID 82010358) is 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid?
The canonical SMILES for 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid is CC(CCC(=O)O)CNC(=O)c1ccc(=O)oc1.
What is the InChIKey of 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid?
The InChIKey is NAYBNPDOMFEVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-8(2-4-10(14)15)6-13-12(17)9-3-5-11(16)18-7-9/h3,5,7-8H,2,4,6H2,1H3,(H,13,17)(H,14,15).
What are the key properties of 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid?
4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid has a molecular weight of 253.25 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(6-oxopyran-3-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 82010358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).