4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid

C11H16N4O5 — CID 62033876

IUPAC4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)O
InChIInChI=1S/C11H16N4O5/c1-7(2)5-8(11(17)18)12-10(16)6-14-4-3-9(13-14)15(19)20/h3-4,7-8H,5-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyUBMYDWUKUJQHFK-UHFFFAOYSA-N
MW284.27 g/mol
LogP0.41
Rot. Bonds7

About 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid

4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid (PubChem CID 62033876) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
PubChem CID62033876
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
SMILESCC(C)CC(NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)O
InChIInChI=1S/C11H16N4O5/c1-7(2)5-8(11(17)18)12-10(16)6-14-4-3-9(13-14)15(19)20/h3-4,7-8H,5-6H2,1-2H3,(H,12,16)(H,17,18)
InChIKeyUBMYDWUKUJQHFK-UHFFFAOYSA-N
XLogP0.41
TPSA127.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid (CID 62033876) is 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid is CC(C)CC(NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)O.
What is the InChIKey of 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is UBMYDWUKUJQHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-7(2)5-8(11(17)18)12-10(16)6-14-4-3-9(13-14)15(19)20/h3-4,7-8H,5-6H2,1-2H3,(H,12,16)(H,17,18).
What are the key properties of 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid has a molecular weight of 284.27 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 62033876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).