4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid

C11H18N4O4 — CID 103079414

IUPAC4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid
SMILESCn1cc([N+](=O)[O-])c(NC(CC(=O)O)C(C)(C)C)n1
InChIInChI=1S/C11H18N4O4/c1-11(2,3)8(5-9(16)17)12-10-7(15(18)19)6-14(4)13-10/h6,8H,5H2,1-4H3,(H,12,13)(H,16,17)
InChIKeyAOEBZZWAYCYCIA-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.63
Rot. Bonds5

About 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid

4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid (PubChem CID 103079414) has the molecular formula C11H18N4O4 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid
PubChem CID103079414
Molecular FormulaC11H18N4O4
Molecular Weight270.29 g/mol
Exact Mass270.13
IUPAC Name4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid
SMILESCn1cc([N+](=O)[O-])c(NC(CC(=O)O)C(C)(C)C)n1
InChIInChI=1S/C11H18N4O4/c1-11(2,3)8(5-9(16)17)12-10-7(15(18)19)6-14(4)13-10/h6,8H,5H2,1-4H3,(H,12,13)(H,16,17)
InChIKeyAOEBZZWAYCYCIA-UHFFFAOYSA-N
XLogP1.63
TPSA110.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.63
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 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)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

5-methyl-3-[[(1-methyl-4-nitropyrazol-3-yl)amino]methyl]hexanoic acid
CID 103079354
1-methyl-N-(3-methylbutan-2-yl)-4-nitropyrazol-3-amine
CID 103079678
2-[(1-methyl-4-nitropyrazol-3-yl)amino]-2-phenylethanol
CID 103079907
2-[(1-methyl-4-nitropyrazol-3-yl)amino]acetamide
CID 103079637
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-N-propan-2-ylpropanamide
CID 103080080
N-(1-methoxy-3-methylbutan-2-yl)-1-methyl-4-nitropyrazol-3-amine
CID 103079967
3-methyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]butan-1-ol
CID 103080149
1-methyl-N-(3-methylbutyl)-4-nitropyrazol-3-amine
CID 103079653
1-methyl-4-nitro-N-pent-4-en-2-ylpyrazol-3-amine
CID 103080103
1-methyl-4-nitro-N-(2,2,3,3-tetrafluoropropyl)pyrazol-3-amine
CID 106293717
4-[(1-methyl-4-nitropyrazol-3-yl)amino]butanamide
CID 103079719
3-(5-cyano-2-nitroanilino)-4,4-dimethylpentanoic acid
CID 104713080

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid?
The IUPAC name of 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid (CID 103079414) is 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid.
What is the SMILES notation for 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid?
The canonical SMILES for 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid is Cn1cc([N+](=O)[O-])c(NC(CC(=O)O)C(C)(C)C)n1.
What is the InChIKey of 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid?
The InChIKey is AOEBZZWAYCYCIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O4/c1-11(2,3)8(5-9(16)17)12-10-7(15(18)19)6-14(4)13-10/h6,8H,5H2,1-4H3,(H,12,13)(H,16,17).
What are the key properties of 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid?
4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid has a molecular weight of 270.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[(1-methyl-4-nitropyrazol-3-yl)amino]pentanoic acid is sourced from PubChem (CID 103079414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).