3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid

C10H13N3O5 — CID 81077962

IUPAC3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid
SMILESCOCC(Nc1ncc([N+](=O)[O-])cc1C)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-6-3-7(13(16)17)4-11-9(6)12-8(5-18-2)10(14)15/h3-4,8H,5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyHKUZUYGOFCYTTN-UHFFFAOYSA-N
MW255.23 g/mol
LogP0.81
Rot. Bonds6

About 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid

3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid (PubChem CID 81077962) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid
PubChem CID81077962
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid
SMILESCOCC(Nc1ncc([N+](=O)[O-])cc1C)C(=O)O
InChIInChI=1S/C10H13N3O5/c1-6-3-7(13(16)17)4-11-9(6)12-8(5-18-2)10(14)15/h3-4,8H,5H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyHKUZUYGOFCYTTN-UHFFFAOYSA-N
XLogP0.81
TPSA114.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 50.81
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 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic 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-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-nitropyridine-3-carboxylic acid
CID 106190136
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722
2-[[(3-methyl-5-nitro-2-pyridinyl)amino]methyl]butanoic acid
CID 65226438
(2S)-2-[(3,5-dinitro-2-pyridinyl)amino]butanedioic acid
CID 22213334
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858
3-methoxy-2-(4-methyl-3-nitroanilino)propanoic acid
CID 81078411
N-(3,3-dimethylbutan-2-yl)-3-methyl-5-nitropyridin-2-amine
CID 113457884
N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
CID 62476877
3-methyl-N-[2-(2-methylpropoxy)ethyl]-5-nitropyridin-2-amine
CID 115618354
(2S)-2-[(3-bromo-5-nitro-2-pyridinyl)amino]hexanoic acid
CID 122062843
2-(3-methyl-5-nitro-2-pyridinyl)butanoic acid
CID 104572156
2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 62477037

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid (CID 81077962) is 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid is COCC(Nc1ncc([N+](=O)[O-])cc1C)C(=O)O.
What is the InChIKey of 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid?
The InChIKey is HKUZUYGOFCYTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-6-3-7(13(16)17)4-11-9(6)12-8(5-18-2)10(14)15/h3-4,8H,5H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid?
3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid has a molecular weight of 255.23 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-[(3-methyl-5-nitro-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 81077962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).