3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide

C10H13NO5 — CID 89078883

IUPAC3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide
SMILESCCCNC(=O)c1oc(CO)cc(=O)c1O
InChIInChI=1S/C10H13NO5/c1-2-3-11-10(15)9-8(14)7(13)4-6(5-12)16-9/h4,12,14H,2-3,5H2,1H3,(H,11,15)
InChIKeyXOZUAFJUISSOPQ-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.02
Rot. Bonds4

About 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide

3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide (PubChem CID 89078883) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide
PubChem CID89078883
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide
SMILESCCCNC(=O)c1oc(CO)cc(=O)c1O
InChIInChI=1S/C10H13NO5/c1-2-3-11-10(15)9-8(14)7(13)4-6(5-12)16-9/h4,12,14H,2-3,5H2,1H3,(H,11,15)
InChIKeyXOZUAFJUISSOPQ-UHFFFAOYSA-N
XLogP-0.02
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
CID 90672508
4H-Pyran-2-carboxylic acid, 5-hydroxy-6-(((2-hydroxyethyl)amino)methyl)-4-oxo-
CID 3050499
6-(Ethylcarbamoyl)-3-hydroxy-4-oxo-pyran-2-carboxylic acid
CID 3010944
2-[6-(hydroxymethyl)-4-oxopyran-3-yl]oxy-N-(2,2,2-trifluoroethyl)acetamide
CID 79869775
2-[(Diethylazaniumyl)methyl]-6-(hydroxymethyl)-4-oxopyran-3-olate
CID 29529863
N-(2-aminoethyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 54696516
N-(3-amino-3-methylpentyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89080855
N-(2-amino-2-ethylbutyl)-3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-carboxamide
CID 89390541
3-butoxy-6-(hydroxymethyl)-N-(2-methoxyethyl)-4-oxopyran-2-carboxamide
CID 130410727
3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
CID 143761978
2-[(2,6-Dimethylmorpholin-4-ium-4-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
CID 3276954
3-Hydroxy-6-(hydroxymethyl)-2-(pyrrolidin-1-ium-1-ylmethyl)pyran-4-one
CID 3613745

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide?
The IUPAC name of 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide (CID 89078883) is 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide.
What is the SMILES notation for 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide?
The canonical SMILES for 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide is CCCNC(=O)c1oc(CO)cc(=O)c1O.
What is the InChIKey of 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide?
The InChIKey is XOZUAFJUISSOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-2-3-11-10(15)9-8(14)7(13)4-6(5-12)16-9/h4,12,14H,2-3,5H2,1H3,(H,11,15).
What are the key properties of 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide?
3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide has a molecular weight of 227.22 g/mol, XLogP of -0.02, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-(hydroxymethyl)-4-oxo-N-propylpyran-2-carboxamide is sourced from PubChem (CID 89078883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).