3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid

C10H15N3O4 — CID 155978273

IUPAC3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid
SMILESCC(C)(C)ONC(=O)Cn1cncc1C(=O)O
InChIInChI=1S/C10H15N3O4/c1-10(2,3)17-12-8(14)5-13-6-11-4-7(13)9(15)16/h4,6H,5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyVLMQHTBYSCJDHP-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.43
Rot. Bonds4

About 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid

3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid (PubChem CID 155978273) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid
PubChem CID155978273
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid
SMILESCC(C)(C)ONC(=O)Cn1cncc1C(=O)O
InChIInChI=1S/C10H15N3O4/c1-10(2,3)17-12-8(14)5-13-6-11-4-7(13)9(15)16/h4,6H,5H2,1-3H3,(H,12,14)(H,15,16)
InChIKeyVLMQHTBYSCJDHP-UHFFFAOYSA-N
XLogP0.43
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid?
The IUPAC name of 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid (CID 155978273) is 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid?
The canonical SMILES for 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid is CC(C)(C)ONC(=O)Cn1cncc1C(=O)O.
What is the InChIKey of 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid?
The InChIKey is VLMQHTBYSCJDHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-10(2,3)17-12-8(14)5-13-6-11-4-7(13)9(15)16/h4,6H,5H2,1-3H3,(H,12,14)(H,15,16).
What are the key properties of 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid?
3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid has a molecular weight of 241.25 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 155978273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).