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

C10H13N3O5 — CID 113286704

IUPAC2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
SMILESCCC(Nc1nc(OC)ccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H13N3O5/c1-3-6(10(14)15)11-9-7(13(16)17)4-5-8(12-9)18-2/h4-6H,3H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyFKPPBDDOCYVDDI-UHFFFAOYSA-N
MW255.23 g/mol
LogP1.27
Rot. Bonds6

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

2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid (PubChem CID 113286704) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
PubChem CID113286704
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Name2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid
SMILESCCC(Nc1nc(OC)ccc1[N+](=O)[O-])C(=O)O
InChIInChI=1S/C10H13N3O5/c1-3-6(10(14)15)11-9-7(13(16)17)4-5-8(12-9)18-2/h4-6H,3H2,1-2H3,(H,11,12)(H,14,15)
InChIKeyFKPPBDDOCYVDDI-UHFFFAOYSA-N
XLogP1.27
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 ≤ 51.27
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'}

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Related Compounds

3-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 70978458
6-methoxy-N-(2-methylpentan-3-yl)-3-nitropyridin-2-amine
CID 79883263
4-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-methylbutanoic acid
CID 113286719
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]propanamide
CID 115321439
N-but-3-yn-2-yl-6-methoxy-3-nitropyridin-2-amine
CID 114418080
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-2-thiophen-2-ylacetic acid
CID 115321276
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]-3-methylbutan-1-ol
CID 112703231
methyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]butanoate
CID 114284015
N-ethyl-2-[(6-methoxy-3-nitro-2-pyridinyl)amino]acetamide
CID 115321441
1-[(6-methoxy-3-nitro-2-pyridinyl)amino]pentan-3-ol
CID 115702124
4-methoxy-3-[(6-methoxy-3-nitro-2-pyridinyl)amino]butan-1-ol
CID 106157692
6-methoxy-N-(1-methylsulfinylpropan-2-yl)-3-nitropyridin-2-amine
CID 113413444

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid?
The IUPAC name of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid (CID 113286704) is 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid.
What is the SMILES notation for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid?
The canonical SMILES for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid is CCC(Nc1nc(OC)ccc1[N+](=O)[O-])C(=O)O.
What is the InChIKey of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid?
The InChIKey is FKPPBDDOCYVDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-3-6(10(14)15)11-9-7(13(16)17)4-5-8(12-9)18-2/h4-6H,3H2,1-2H3,(H,11,12)(H,14,15).
What are the key properties of 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid?
2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid has a molecular weight of 255.23 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-3-nitro-2-pyridinyl)amino]butanoic acid is sourced from PubChem (CID 113286704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).