1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid

C12H16N2O6 — CID 122609227

IUPAC1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid
SMILESNCCCCC(C(=O)O)N1C(=O)C=C(C(=O)O)CC1=O
InChIInChI=1S/C12H16N2O6/c13-4-2-1-3-8(12(19)20)14-9(15)5-7(11(17)18)6-10(14)16/h5,8H,1-4,6,13H2,(H,17,18)(H,19,20)
InChIKeyFPKYKHXLBYYALY-UHFFFAOYSA-N
MW284.27 g/mol
LogP-0.66
Rot. Bonds7

About 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid

1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid (PubChem CID 122609227) has the molecular formula C12H16N2O6 and a molecular weight of 284.27 g/mol. Its IUPAC name is 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid
PubChem CID122609227
Molecular FormulaC12H16N2O6
Molecular Weight284.27 g/mol
Exact Mass284.10
IUPAC Name1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid
SMILESNCCCCC(C(=O)O)N1C(=O)C=C(C(=O)O)CC1=O
InChIInChI=1S/C12H16N2O6/c13-4-2-1-3-8(12(19)20)14-9(15)5-7(11(17)18)6-10(14)16/h5,8H,1-4,6,13H2,(H,17,18)(H,19,20)
InChIKeyFPKYKHXLBYYALY-UHFFFAOYSA-N
XLogP-0.66
TPSA138.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-1-carboxypentyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690337
(2S)-5-amino-2-(4,6-dioxo-1,3,3a,6a-tetrahydrofuro[3,4-c]pyrrol-5-yl)pentanoic acid
CID 46201478
(2S)-5-amino-2-(4,6-dioxo-2,3,3a,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)pentanoic acid
CID 46201627
(2S)-6-amino-2-[(3R)-3-[(2S)-2-[(2-aminoacetyl)amino]-4-carboxybutanoyl]-2,5-dioxopyrrolidin-1-yl]hexanoic acid
CID 75204116
2-(2,5-dioxopyrrol-1-yl)octanoic acid
CID 21116846
2-(2,5-dioxopyrrol-1-yl)undecanoic acid
CID 18477222
6-amino-2-[4-(fluorosulfonylmethyl)-2-oxopyrrolidin-1-yl]hexanoic acid
CID 168674969
(2S)-6-amino-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid
CID 69465675
2-(3-methyl-2,5-dioxopyrrol-1-yl)pentanedioic acid
CID 22403510
(2S)-2-(2,5-dioxopyrrol-1-yl)pentanedioic acid
CID 82679809
(2R)-6-amino-2-[[2-(2,5-dioxopyrrol-1-yl)acetyl]amino]hexanoic acid
CID 140938922
2-(3-hydroxy-2,5-dioxopyrrolidin-1-yl)octanedioic acid
CID 67701766

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid?
The IUPAC name of 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid (CID 122609227) is 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid.
What is the SMILES notation for 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid?
The canonical SMILES for 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid is NCCCCC(C(=O)O)N1C(=O)C=C(C(=O)O)CC1=O.
What is the InChIKey of 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid?
The InChIKey is FPKYKHXLBYYALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6/c13-4-2-1-3-8(12(19)20)14-9(15)5-7(11(17)18)6-10(14)16/h5,8H,1-4,6,13H2,(H,17,18)(H,19,20).
What are the key properties of 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid?
1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid has a molecular weight of 284.27 g/mol, XLogP of -0.66, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-carboxypentyl)-2,6-dioxo-3H-pyridine-4-carboxylic acid is sourced from PubChem (CID 122609227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).