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

C14H20N2O6 — CID 89390544

IUPAC6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCCC(N)(CC)CNC(=O)c1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C14H20N2O6/c1-3-5-14(15,4-2)7-16-12(19)11-10(18)8(17)6-9(22-11)13(20)21/h6,18H,3-5,7,15H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyVZZRUDRIUSRCOD-UHFFFAOYSA-N
MW312.32 g/mol
LogP0.68
Rot. Bonds7

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

6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid (PubChem CID 89390544) has the molecular formula C14H20N2O6 and a molecular weight of 312.32 g/mol. Its IUPAC name is 6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
PubChem CID89390544
Molecular FormulaC14H20N2O6
Molecular Weight312.32 g/mol
Exact Mass312.13
IUPAC Name6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCCCC(N)(CC)CNC(=O)c1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C14H20N2O6/c1-3-5-14(15,4-2)7-16-12(19)11-10(18)8(17)6-9(22-11)13(20)21/h6,18H,3-5,7,15H2,1-2H3,(H,16,19)(H,20,21)
InChIKeyVZZRUDRIUSRCOD-UHFFFAOYSA-N
XLogP0.68
TPSA142.86 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 50.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-Aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 54696515
6-(2-Aminoethylcarbamoyl)-3-hydroxy-4-oxo-4h-pyran-2-carboxylic acid
CID 59585254
N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89080855
6-[(3-Amino-3-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 89080858
6-[(2-Amino-2-methylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
CID 89390537
N-(2-amino-2-ethylbutyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89390541
N-(2-amino-2-ethylpentyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89390545

Frequently Asked Questions

What is the IUPAC name of 6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid (CID 89390544) is 6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid is CCCC(N)(CC)CNC(=O)c1oc(C(=O)O)cc(=O)c1O.
What is the InChIKey of 6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
The InChIKey is VZZRUDRIUSRCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O6/c1-3-5-14(15,4-2)7-16-12(19)11-10(18)8(17)6-9(22-11)13(20)21/h6,18H,3-5,7,15H2,1-2H3,(H,16,19)(H,20,21).
What are the key properties of 6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid has a molecular weight of 312.32 g/mol, XLogP of 0.68, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-amino-2-ethylpentyl)carbamoyl]-5-hydroxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 89390544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).