ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate

C11H16N2O2 — CID 61499213

IUPACethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cccc(C)n1
InChIInChI=1S/C11H16N2O2/c1-4-15-11(14)9(3)13-10-7-5-6-8(2)12-10/h5-7,9H,4H2,1-3H3,(H,12,13)
InChIKeyKQYWYTHKLVTGGC-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.75
Rot. Bonds4

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

ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate (PubChem CID 61499213) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
PubChem CID61499213
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Nameethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)Nc1cccc(C)n1
InChIInChI=1S/C11H16N2O2/c1-4-15-11(14)9(3)13-10-7-5-6-8(2)12-10/h5-7,9H,4H2,1-3H3,(H,12,13)
InChIKeyKQYWYTHKLVTGGC-UHFFFAOYSA-N
XLogP1.75
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(6-carbamothioyl-2-pyridinyl)amino]propanoate
CID 64589637
N-ethyl-2-[(6-methyl-2-pyridinyl)amino]propanamide
CID 61480114
ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate
CID 133483913
ethyl N-(6-methyl-2-pyridinyl)carbamate
CID 5197559
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
N-butan-2-yl-6-methylpyridin-2-amine
CID 60877372
ethyl 2-[(4-methylquinolin-2-yl)amino]propanoate
CID 102436665
ethyl 2-[(5-tert-butyl-2-pyridinyl)amino]propanoate
CID 114011564
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570
methyl 6-[(1-ethoxy-1-oxopropan-2-yl)amino]pyridazine-3-carboxylate
CID 54960640
N-hexan-2-yl-6-methylpyridin-2-amine
CID 62199495
ethyl (2R)-2-(3-methylanilino)propanoate
CID 102078711

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate (CID 61499213) is ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate is CCOC(=O)C(C)Nc1cccc(C)n1.
What is the InChIKey of ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate?
The InChIKey is KQYWYTHKLVTGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-4-15-11(14)9(3)13-10-7-5-6-8(2)12-10/h5-7,9H,4H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate?
ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate has a molecular weight of 208.26 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-methyl-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 61499213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).