methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate

C11H15N3O4 — CID 62006355

IUPACmethyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H15N3O4/c1-8(11(15)18-3)7-13(2)9-4-5-10(12-6-9)14(16)17/h4-6,8H,7H2,1-3H3
InChIKeyYYXUYVPIDVHJSQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.24
Rot. Bonds5

About methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate

methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate (PubChem CID 62006355) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate
PubChem CID62006355
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate
SMILESCOC(=O)C(C)CN(C)c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C11H15N3O4/c1-8(11(15)18-3)7-13(2)9-4-5-10(12-6-9)14(16)17/h4-6,8H,7H2,1-3H3
InChIKeyYYXUYVPIDVHJSQ-UHFFFAOYSA-N
XLogP1.24
TPSA85.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.24
H-Bond Donors ≤ 50
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

methyl 3-[(6-carbamothioyl-3-pyridinyl)-methylamino]-2-methylpropanoate
CID 115488441
methyl 3-(2-iodo-N-methyl-4-nitroanilino)-2-methylpropanoate
CID 66092888
methyl 3-[(6-amino-5-nitro-2-pyridinyl)-methylamino]-2-methylpropanoate
CID 79815567
methyl 3-[(3-chloro-5-nitro-4-pyridinyl)-methylamino]-2-methylpropanoate
CID 114286295
methyl 3-[2-(difluoromethyl)-N-methyl-4-nitroanilino]-2-methylpropanoate
CID 63735155
methyl 3-(4-chloro-N-methyl-2-nitroanilino)-2-methylpropanoate
CID 62005975
methyl (2R)-3-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropanoate
CID 97019810
2-methyl-2-[methyl-(6-nitro-3-pyridinyl)amino]propanoic acid
CID 62819256
methyl 2-methyl-3-(4-nitroimidazol-1-yl)propanoate
CID 43538188
4-[[methyl-(6-nitro-3-pyridinyl)amino]methyl]oxan-4-ol
CID 114952266
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858
N-methyl-N-(4-methylsulfanylbutan-2-yl)-6-nitropyridin-3-amine
CID 75385737

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate (CID 62006355) is methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate is COC(=O)C(C)CN(C)c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate?
The InChIKey is YYXUYVPIDVHJSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-8(11(15)18-3)7-13(2)9-4-5-10(12-6-9)14(16)17/h4-6,8H,7H2,1-3H3.
What are the key properties of methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate?
methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate has a molecular weight of 253.26 g/mol, XLogP of 1.24, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(6-nitro-3-pyridinyl)amino]propanoate is sourced from PubChem (CID 62006355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).