5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid

C9H15N3O3 — CID 82470977

IUPAC5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
SMILESCCCCCn1c(C(=O)O)c(N)[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-2-3-4-5-12-6(8(13)14)7(10)11-9(12)15/h2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyWHFWHPKIJAEVBY-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.65
Rot. Bonds5

About 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid

5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid (PubChem CID 82470977) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
PubChem CID82470977
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid
SMILESCCCCCn1c(C(=O)O)c(N)[nH]c1=O
InChIInChI=1S/C9H15N3O3/c1-2-3-4-5-12-6(8(13)14)7(10)11-9(12)15/h2-5,10H2,1H3,(H,11,15)(H,13,14)
InChIKeyWHFWHPKIJAEVBY-UHFFFAOYSA-N
XLogP0.65
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-(3-ethoxypropyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 98014619
5-amino-3-(2-methoxyethyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82469457
6-amino-1-tetradecylpyrimidine-2,4-dione
CID 22924826
5-acetyl-3-butyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
CID 13051522
6-amino-1-hexyl-5-nitrosopyrimidine-2,4-dione
CID 10331856
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
5-amino-3-(4-ethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82479729
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-hexyl-1,3,5-triazinane-2,4,6-trione;isocyanic acid
CID 172765496
6-chloro-2-oxo-1-pentyl-3H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68738502
5-amino-3-(2,6-dimethylphenyl)-2-oxo-1H-imidazole-4-carboxylic acid
CID 82479727
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid (CID 82470977) is 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid is CCCCCn1c(C(=O)O)c(N)[nH]c1=O.
What is the InChIKey of 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid?
The InChIKey is WHFWHPKIJAEVBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-2-3-4-5-12-6(8(13)14)7(10)11-9(12)15/h2-5,10H2,1H3,(H,11,15)(H,13,14).
What are the key properties of 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid?
5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid has a molecular weight of 213.24 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-oxo-3-pentyl-1H-imidazole-4-carboxylic acid is sourced from PubChem (CID 82470977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).