6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid

C13H18N2O6 — CID 89390537

IUPAC6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCCC(C)(N)CNC(=O)c1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C13H18N2O6/c1-3-4-13(2,14)6-15-11(18)10-9(17)7(16)5-8(21-10)12(19)20/h5,17H,3-4,6,14H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyYFLMVFKHCLWIOP-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.29
Rot. Bonds6

About 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid

6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid (PubChem CID 89390537) has the molecular formula C13H18N2O6 and a molecular weight of 298.30 g/mol. Its IUPAC name is 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
PubChem CID89390537
Molecular FormulaC13H18N2O6
Molecular Weight298.30 g/mol
Exact Mass298.12
IUPAC Name6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCCC(C)(N)CNC(=O)c1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C13H18N2O6/c1-3-4-13(2,14)6-15-11(18)10-9(17)7(16)5-8(21-10)12(19)20/h5,17H,3-4,6,14H2,1-2H3,(H,15,18)(H,19,20)
InChIKeyYFLMVFKHCLWIOP-UHFFFAOYSA-N
XLogP0.29
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid (CID 89390537) is 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid is CCCC(C)(N)CNC(=O)c1oc(C(=O)O)cc(=O)c1O.
What is the InChIKey of 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
The InChIKey is YFLMVFKHCLWIOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O6/c1-3-4-13(2,14)6-15-11(18)10-9(17)7(16)5-8(21-10)12(19)20/h5,17H,3-4,6,14H2,1-2H3,(H,15,18)(H,19,20).
What are the key properties of 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 89390537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).