6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid

C9H11NO5 — CID 3035275

IUPAC6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCN(C)Cc1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C9H11NO5/c1-10(2)4-7-8(12)5(11)3-6(15-7)9(13)14/h3,12H,4H2,1-2H3,(H,13,14)
InChIKeyVOTDRCFZXCKSFW-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.11
Rot. Bonds3

About 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid

6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid (PubChem CID 3035275) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
PubChem CID3035275
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid
SMILESCN(C)Cc1oc(C(=O)O)cc(=O)c1O
InChIInChI=1S/C9H11NO5/c1-10(2)4-7-8(12)5(11)3-6(15-7)9(13)14/h3,12H,4H2,1-2H3,(H,13,14)
InChIKeyVOTDRCFZXCKSFW-UHFFFAOYSA-N
XLogP0.11
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
The IUPAC name of 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid (CID 3035275) is 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid.
What is the SMILES notation for 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
The canonical SMILES for 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid is CN(C)Cc1oc(C(=O)O)cc(=O)c1O.
What is the InChIKey of 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
The InChIKey is VOTDRCFZXCKSFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-10(2)4-7-8(12)5(11)3-6(15-7)9(13)14/h3,12H,4H2,1-2H3,(H,13,14).
What are the key properties of 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid?
6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid has a molecular weight of 213.19 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-5-hydroxy-4-oxopyran-2-carboxylic acid is sourced from PubChem (CID 3035275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).