4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid

C11H15N3O5 — CID 113286719

IUPAC4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
SMILESCOc1ccc([N+](=O)[O-])c(NCCC(C)C(=O)O)n1
InChIInChI=1S/C11H15N3O5/c1-7(11(15)16)5-6-12-10-8(14(17)18)3-4-9(13-10)19-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyVSKGQPHLIABGLJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.52
Rot. Bonds7

About 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid

4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid (PubChem CID 113286719) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid.

Molecular Properties

Compound Name4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
PubChem CID113286719
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
SMILESCOc1ccc([N+](=O)[O-])c(NCCC(C)C(=O)O)n1
InChIInChI=1S/C11H15N3O5/c1-7(11(15)16)5-6-12-10-8(14(17)18)3-4-9(13-10)19-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,15,16)
InChIKeyVSKGQPHLIABGLJ-UHFFFAOYSA-N
XLogP1.52
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.52
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-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic 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

6-methoxy-N-(4-methylpentyl)-3-nitropyridin-2-amine
CID 113286768
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
N,N'-bis(6-methoxy-3-nitro-2-pyridinyl)heptane-1,7-diamine
CID 110172492
N-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]acetamide
CID 22141713
2-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethoxy]acetic acid
CID 115321260
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexanoic acid
CID 115321178
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
CID 113286704
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanamide
CID 113286764
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-N-methylpropanamide
CID 113286774
6-[(6-methoxy-3-nitro-2-pyridinyl)amino]hexan-1-ol
CID 103918200
3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
3-[2-[(6-methoxy-3-nitro-2-pyridinyl)amino]ethyl]-1,1-dimethylurea
CID 83114496

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid?
The IUPAC name of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid (CID 113286719) is 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid.
What is the SMILES notation for 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid?
The canonical SMILES for 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid is COc1ccc([N+](=O)[O-])c(NCCC(C)C(=O)O)n1.
What is the InChIKey of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid?
The InChIKey is VSKGQPHLIABGLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7(11(15)16)5-6-12-10-8(14(17)18)3-4-9(13-10)19-2/h3-4,7H,5-6H2,1-2H3,(H,12,13)(H,15,16).
What are the key properties of 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid?
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid has a molecular weight of 269.26 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid is sourced from PubChem (CID 113286719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).