2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron

C8H10FeN2O4 — CID 67948493

IUPAC2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron
SMILESNC(Cn1ccc(=O)c(O)c1)C(=O)O.[Fe]
InChIInChI=1S/C8H10N2O4.Fe/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10;/h1-2,4-5,12H,3,9H2,(H,13,14);
InChIKeyRCSGXOUHPMYMFE-UHFFFAOYSA-N
MW254.02 g/mol
LogP-1.04
Rot. Bonds3

About 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron

2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron (PubChem CID 67948493) has the molecular formula C8H10FeN2O4 and a molecular weight of 254.02 g/mol. Its IUPAC name is 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron.

Molecular Properties

Compound Name2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron
PubChem CID67948493
Molecular FormulaC8H10FeN2O4
Molecular Weight254.02 g/mol
Exact Mass254.00
IUPAC Name2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron
SMILESNC(Cn1ccc(=O)c(O)c1)C(=O)O.[Fe]
InChIInChI=1S/C8H10N2O4.Fe/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10;/h1-2,4-5,12H,3,9H2,(H,13,14);
InChIKeyRCSGXOUHPMYMFE-UHFFFAOYSA-N
XLogP-1.04
TPSA105.55 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 ≤ 5-1.04
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

(2S)-2-amino-3-[3-[(2R)-2-amino-4-hydroxybutanoyl]oxy-4-oxo-1-pyridinyl]propanoic acid
CID 70275385
CID 10816024
CID 10816024
1-(2-aminoethyl)-3-hydroxypyridin-4-one;dihydrochloride
CID 56842542
(2S)-2-amino-3-[1-(3-hydroxy-4-oxo-1-pyridinyl)propylsulfanyl]propanoic acid
CID 66605531
(2S)-2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)-4-methylsulfanylbutanoic acid
CID 174816048
2-amino-3-(9-oxoacridin-10-yl)propanoic acid
CID 65443403
2-[(3-hydroxy-4-oxo-1-pyridinyl)amino]propanoic acid
CID 68614187
1-(2-aminopropyl)-3-methylpyridin-4-one
CID 130576959
2-amino-3-(2,4-dioxopyrimidin-1-yl)propanoic acid;hydrate
CID 6431744
1-[(2S)-2-aminopropyl]pyrrole-3-carboxylic acid
CID 167442409
2-amino-6-(3-hydroxy-2-methyl-4-oxo-1-pyridinyl)hexanoic acid
CID 25205018
(2S)-2-amino-6-[(5-hydroxy-2-methyl-4-oxo-1-pyridinyl)amino]hexanoic acid
CID 70501467

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron?
The IUPAC name of 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron (CID 67948493) is 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron.
What is the SMILES notation for 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron?
The canonical SMILES for 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron is NC(Cn1ccc(=O)c(O)c1)C(=O)O.[Fe].
What is the InChIKey of 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron?
The InChIKey is RCSGXOUHPMYMFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4.Fe/c9-5(8(13)14)3-10-2-1-6(11)7(12)4-10;/h1-2,4-5,12H,3,9H2,(H,13,14);.
What are the key properties of 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron?
2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron has a molecular weight of 254.02 g/mol, XLogP of -1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-hydroxy-4-oxo-1-pyridinyl)propanoic acid;iron is sourced from PubChem (CID 67948493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).