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

C12H18N2O2 — CID 133483913

IUPACethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)CNc1cccc(C)n1
InChIInChI=1S/C12H18N2O2/c1-4-16-12(15)9(2)8-13-11-7-5-6-10(3)14-11/h5-7,9H,4,8H2,1-3H3,(H,13,14)
InChIKeySCHNRAKEWFQQGL-UHFFFAOYSA-N
MW222.29 g/mol
LogP2.00
Rot. Bonds5

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

ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate (PubChem CID 133483913) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate
PubChem CID133483913
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Nameethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate
SMILESCCOC(=O)C(C)CNc1cccc(C)n1
InChIInChI=1S/C12H18N2O2/c1-4-16-12(15)9(2)8-13-11-7-5-6-10(3)14-11/h5-7,9H,4,8H2,1-3H3,(H,13,14)
InChIKeySCHNRAKEWFQQGL-UHFFFAOYSA-N
XLogP2.00
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate?
The IUPAC name of ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate (CID 133483913) is ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate.
What is the SMILES notation for ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate?
The canonical SMILES for ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate is CCOC(=O)C(C)CNc1cccc(C)n1.
What is the InChIKey of ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate?
The InChIKey is SCHNRAKEWFQQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-4-16-12(15)9(2)8-13-11-7-5-6-10(3)14-11/h5-7,9H,4,8H2,1-3H3,(H,13,14).
What are the key properties of ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate?
ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate has a molecular weight of 222.29 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-3-[(6-methyl-2-pyridinyl)amino]propanoate is sourced from PubChem (CID 133483913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).