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

C11H16N4O5 — CID 78986511

IUPAC(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](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)/t8-/m1/s1
InChIKeyUBMYDWUKUJQHFK-MRVPVSSYSA-N
MW284.27 g/mol
LogP0.41
Rot. Bonds7

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

(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid (PubChem CID 78986511) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is (2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
PubChem CID78986511
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC Name(2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid
SMILESCC(C)C[C@@H](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)/t8-/m1/s1
InChIKeyUBMYDWUKUJQHFK-MRVPVSSYSA-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 (2R)-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

Related Compounds

2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanedioic acid
CID 62112095
2-methyl-3-[[2-(3-nitropyrazol-1-yl)acetyl]amino]butanoic acid
CID 113415838
ethyl 2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]propanoate
CID 47415830
2-(3-nitropyrazol-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
CID 103725978
2-(3-nitropyrazol-1-yl)-N-[1-(3,4,5-trimethoxyphenyl)ethyl]acetamide
CID 55847698
N-(2-hydroxy-3-methylbutyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 115744501
N-(2,6-dimethylphenyl)-2-(3-nitropyrazol-1-yl)acetamide
CID 19521512
4-methyl-2-[[2-(tetrazol-1-yl)acetyl]amino]pentanoic acid
CID 24697179
N-(3-aminobutyl)-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 119495111
N-[(2R)-2-(ethylamino)propyl]-2-(3-nitropyrazol-1-yl)acetamide;hydrochloride
CID 120652830
N-benzyl-2-(3-nitropyrazol-1-yl)acetamide
CID 841686
N-cyclopropyl-2-(3-nitropyrazol-1-yl)acetamide
CID 19521509

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid (CID 78986511) is (2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid is CC(C)C[C@@H](NC(=O)Cn1ccc([N+](=O)[O-])n1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
The InChIKey is UBMYDWUKUJQHFK-MRVPVSSYSA-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)/t8-/m1/s1.
What are the key properties of (2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid?
(2R)-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 (2R)-4-methyl-2-[[2-(3-nitropyrazol-1-yl)acetyl]amino]pentanoic acid is sourced from PubChem (CID 78986511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).