2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid

C11H15N3O5 — CID 66280014

IUPAC2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-8-5-9(14(17)18)11(12-6-8)13(3-4-19-2)7-10(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyUVBRRLMGKLFGEI-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.84
Rot. Bonds7

About 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid

2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid (PubChem CID 66280014) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid
PubChem CID66280014
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid
SMILESCOCCN(CC(=O)O)c1ncc(C)cc1[N+](=O)[O-]
InChIInChI=1S/C11H15N3O5/c1-8-5-9(14(17)18)11(12-6-8)13(3-4-19-2)7-10(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)
InChIKeyUVBRRLMGKLFGEI-UHFFFAOYSA-N
XLogP0.84
TPSA105.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
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

2-[5-chloro-N-(2-methoxyethyl)-2-methyl-4-nitroanilino]acetic acid
CID 115555395
N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 114900555
ethyl 2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetate
CID 66280292
2-[4-fluoro-5-methoxy-N-(2-methoxyethyl)-2-nitroanilino]acetic acid
CID 63598675
2-[5-fluoro-4-iodo-N-(2-methoxyethyl)-2-nitroanilino]acetic acid
CID 66088489
2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid
CID 66278047
2-methyl-3-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid
CID 66280015
N'-benzyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 106511823
methyl 2-[(5-bromo-3-nitro-2-pyridinyl)-propylamino]acetate
CID 62005759
N-ethyl-N-[(4-methoxyphenyl)methyl]-5-methyl-3-nitropyridin-2-amine
CID 133384169
2-[(5-bromo-3-nitro-2-pyridinyl)-prop-2-ynylamino]acetic acid
CID 79272775
2-[N-(2-methoxyethyl)-4-methylanilino]acetic acid
CID 60839571

Frequently Asked Questions

What is the IUPAC name of 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid?
The IUPAC name of 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid (CID 66280014) is 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid.
What is the SMILES notation for 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid?
The canonical SMILES for 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid is COCCN(CC(=O)O)c1ncc(C)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid?
The InChIKey is UVBRRLMGKLFGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-8-5-9(14(17)18)11(12-6-8)13(3-4-19-2)7-10(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16).
What are the key properties of 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid?
2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid has a molecular weight of 269.26 g/mol, XLogP of 0.84, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid is sourced from PubChem (CID 66280014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).