N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide

C9H12N2O4 — CID 54696511

IUPACN-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)c(O)c(C(=O)NCCN)o1
InChIInChI=1S/C9H12N2O4/c1-5-4-6(12)7(13)8(15-5)9(14)11-3-2-10/h4,13H,2-3,10H2,1H3,(H,11,14)
InChIKeyLDOGSFQQILWFMM-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.66
Rot. Bonds3

About N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide

N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide (PubChem CID 54696511) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
PubChem CID54696511
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC NameN-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
SMILESCc1cc(=O)c(O)c(C(=O)NCCN)o1
InChIInChI=1S/C9H12N2O4/c1-5-4-6(12)7(13)8(15-5)9(14)11-3-2-10/h4,13H,2-3,10H2,1H3,(H,11,14)
InChIKeyLDOGSFQQILWFMM-UHFFFAOYSA-N
XLogP-0.66
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide 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 N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide (CID 54696511) is N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide is Cc1cc(=O)c(O)c(C(=O)NCCN)o1.
What is the InChIKey of N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
The InChIKey is LDOGSFQQILWFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5-4-6(12)7(13)8(15-5)9(14)11-3-2-10/h4,13H,2-3,10H2,1H3,(H,11,14).
What are the key properties of N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide?
N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide has a molecular weight of 212.20 g/mol, XLogP of -0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide is sourced from PubChem (CID 54696511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).