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

C8H10FeN2O4 — CID 59283127

IUPACN-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron
SMILESNCCNC(=O)c1occc(=O)c1O.[Fe]
InChIInChI=1S/C8H10N2O4.Fe/c9-2-3-10-8(13)7-6(12)5(11)1-4-14-7;/h1,4,12H,2-3,9H2,(H,10,13);
InChIKeyVADSXTUMRRUQGN-UHFFFAOYSA-N
MW254.02 g/mol
LogP-0.97
Rot. Bonds3

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

N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron (PubChem CID 59283127) has the molecular formula C8H10FeN2O4 and a molecular weight of 254.02 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron
PubChem CID59283127
Molecular FormulaC8H10FeN2O4
Molecular Weight254.02 g/mol
Exact Mass254.00
IUPAC NameN-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron
SMILESNCCNC(=O)c1occc(=O)c1O.[Fe]
InChIInChI=1S/C8H10N2O4.Fe/c9-2-3-10-8(13)7-6(12)5(11)1-4-14-7;/h1,4,12H,2-3,9H2,(H,10,13);
InChIKeyVADSXTUMRRUQGN-UHFFFAOYSA-N
XLogP-0.97
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.02
LogP ≤ 5-0.97
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

N-[(5-hydroxy-4-oxopyran-2-yl)methyl]acetamide
CID 90672508
2-amino-N-[(5-hydroxy-4-oxo-4H-pyran-2-yl)methyl]Acetamide
CID 21524751
N-ethyl-3-hydroxy-4-oxo-4H-pyran-2-carboxamide
CID 54748756
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-[bis[2-[(3-hydroxy-4-oxopyran-2-carbonyl)amino]ethyl]amino]ethyl]-3-hydroxy-4-oxopyran-2-carboxamide
CID 59227357
N-(2-aminoethyl)-3-hydroxy-6-methyl-4-oxopyran-2-carboxamide;iron
CID 59283126
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
3-hydroxy-4-oxo-N-propylpyran-2-carboxamide
CID 143761978
Tris(2-(2-aminoethylcarbamoyl)-4-oxopyran-3-olate);iron(3+)
CID 54696512
3-Hydroxy-2-(piperazine-1-carbonyl)pyran-4-one
CID 83891564

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron?
The IUPAC name of N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron (CID 59283127) is N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron.
What is the SMILES notation for N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron?
The canonical SMILES for N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron is NCCNC(=O)c1occc(=O)c1O.[Fe].
What is the InChIKey of N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron?
The InChIKey is VADSXTUMRRUQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4.Fe/c9-2-3-10-8(13)7-6(12)5(11)1-4-14-7;/h1,4,12H,2-3,9H2,(H,10,13);.
What are the key properties of N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron?
N-(2-aminoethyl)-3-hydroxy-4-oxopyran-2-carboxamide;iron has a molecular weight of 254.02 g/mol, XLogP of -0.97, 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-4-oxopyran-2-carboxamide;iron is sourced from PubChem (CID 59283127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).