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

C11H15N3O4 — CID 66278047

IUPAC2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid
SMILESCc1cnc(N(C)C(C)(C)C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-7-5-8(14(17)18)9(12-6-7)13(4)11(2,3)10(15)16/h5-6H,1-4H3,(H,15,16)
InChIKeyINKRBWPWCKKTSQ-UHFFFAOYSA-N
MW253.26 g/mol
LogP1.60
Rot. Bonds4

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

2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid (PubChem CID 66278047) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid
PubChem CID66278047
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid
SMILESCc1cnc(N(C)C(C)(C)C(=O)O)c([N+](=O)[O-])c1
InChIInChI=1S/C11H15N3O4/c1-7-5-8(14(17)18)9(12-6-7)13(4)11(2,3)10(15)16/h5-6H,1-4H3,(H,15,16)
InChIKeyINKRBWPWCKKTSQ-UHFFFAOYSA-N
XLogP1.60
TPSA96.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 113420599
2-methyl-3-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid
CID 66280015
ethyl 2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetate
CID 66280292
2-[2-methoxyethyl-(5-methyl-3-nitro-2-pyridinyl)amino]acetic acid
CID 66280014
2,5-dimethyl-3-nitropyridine
CID 12626468
2-methyl-2-[methyl-(6-nitro-3-pyridinyl)amino]propanoic acid
CID 62819256
2-(4-carbamoyl-N-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 62819076
2-methyl-2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]propanoic acid
CID 62818914
2-(4-cyano-N-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 55123834
N'-ethyl-N'-(5-methyl-3-nitro-2-pyridinyl)ethane-1,2-diamine
CID 114900555
2-(N-ethyl-4-methyl-2-nitroanilino)-2-methylpropanoic acid
CID 55123500
2-chloro-5-methyl-3-nitropyridine
CID 139082293

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid (CID 66278047) is 2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid is Cc1cnc(N(C)C(C)(C)C(=O)O)c([N+](=O)[O-])c1.
What is the InChIKey of 2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid?
The InChIKey is INKRBWPWCKKTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-5-8(14(17)18)9(12-6-7)13(4)11(2,3)10(15)16/h5-6H,1-4H3,(H,15,16).
What are the key properties of 2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid?
2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid is sourced from PubChem (CID 66278047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).