2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid

C13H18N2O4 — CID 62819083

IUPAC2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
SMILESCCOC(=O)c1cccnc1N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-5-19-11(16)9-7-6-8-14-10(9)15(4)13(2,3)12(17)18/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyQILQAZKJZAHKOG-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.56
Rot. Bonds5

About 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid

2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid (PubChem CID 62819083) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
PubChem CID62819083
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid
SMILESCCOC(=O)c1cccnc1N(C)C(C)(C)C(=O)O
InChIInChI=1S/C13H18N2O4/c1-5-19-11(16)9-7-6-8-14-10(9)15(4)13(2,3)12(17)18/h6-8H,5H2,1-4H3,(H,17,18)
InChIKeyQILQAZKJZAHKOG-UHFFFAOYSA-N
XLogP1.56
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2,2-dimethylpropyl(methyl)amino]pyridine-3-carboxylate
CID 133469869
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
2-[(3-ethoxycarbonyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262210
ethyl 2-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-3-carboxylate
CID 54999147
ethyl 2-[(2-aminophenyl)methyl-methylamino]pyridine-3-carboxylate
CID 60868679
ethyl 2-[(4-amino-4-sulfanylidenebutan-2-yl)-methylamino]pyridine-3-carboxylate
CID 63223834
ethyl 2-(4-cyano-N-methylanilino)pyridine-3-carboxylate
CID 62983308
ethyl 2-[cyclopentylmethyl(methyl)amino]pyridine-3-carboxylate
CID 133469103
ethyl 2-[(2-amino-1-cyclopropylethyl)-methylamino]pyridine-3-carboxylate
CID 116653490
ethyl 2-(tert-butylamino)pyridine-3-carboxylate
CID 90095757
2-aminopyridine-3-carboxylic acid;ethyl 2-aminopyridine-3-carboxylate
CID 159950577
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid (CID 62819083) is 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid is CCOC(=O)c1cccnc1N(C)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid?
The InChIKey is QILQAZKJZAHKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-5-19-11(16)9-7-6-8-14-10(9)15(4)13(2,3)12(17)18/h6-8H,5H2,1-4H3,(H,17,18).
What are the key properties of 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid?
2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid has a molecular weight of 266.30 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxycarbonyl-2-pyridinyl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62819083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).