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

C9H12FeN2O4 — CID 59283126

IUPACN-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron
SMILESCc1cc(=O)c(O)c(C(=O)NCCN)o1.[Fe]
InChIInChI=1S/C9H12N2O4.Fe/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);
InChIKeyFQHBUKVELXWMRH-UHFFFAOYSA-N
MW268.05 g/mol
LogP-0.66
Rot. Bonds3

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

N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron (PubChem CID 59283126) has the molecular formula C9H12FeN2O4 and a molecular weight of 268.05 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron
PubChem CID59283126
Molecular FormulaC9H12FeN2O4
Molecular Weight268.05 g/mol
Exact Mass268.01
IUPAC NameN-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron
SMILESCc1cc(=O)c(O)c(C(=O)NCCN)o1.[Fe]
InChIInChI=1S/C9H12N2O4.Fe/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);
InChIKeyFQHBUKVELXWMRH-UHFFFAOYSA-N
XLogP-0.66
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-hydroxy-N,6-dimethyl-4-oxopyran-2-carboxamide
CID 130423211
2-amino-N-[(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl]Acetamide
CID 21524751
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 54696509
N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide
CID 54696511
N-(2-aminoethyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 54696514
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron
CID 59283127
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;gadolinium
CID 59283135
N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;gadolinium
CID 59283138
N-(2-amino-2-methylpropyl)-6-(azidomethyl)-3-hydroxy-4-oxopyran-2-carboxamide
CID 89390539
[[6-(2-Aminoethylcarbamoyl)-5-hydroxy-4-oxopyran-2-yl]methylhydrazinylidene]azanide
CID 89078886

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron?
The IUPAC name of N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron (CID 59283126) is N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron.
What is the SMILES notation for N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron?
The canonical SMILES for N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron is Cc1cc(=O)c(O)c(C(=O)NCCN)o1.[Fe].
What is the InChIKey of N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron?
The InChIKey is FQHBUKVELXWMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4.Fe/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;iron?
N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron has a molecular weight of 268.05 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;iron is sourced from PubChem (CID 59283126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).