methyl 2-(2-pyridin-4-ylethylamino)propanoate

C11H16N2O2 — CID 61499767

IUPACmethyl 2-(2-pyridin-4-ylethylamino)propanoate
SMILESCOC(=O)C(C)NCCc1ccncc1
InChIInChI=1S/C11H16N2O2/c1-9(11(14)15-2)13-8-5-10-3-6-12-7-4-10/h3-4,6-7,9,13H,5,8H2,1-2H3
InChIKeyISIHVVFQCYVMJH-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.78
Rot. Bonds5

About methyl 2-(2-pyridin-4-ylethylamino)propanoate

methyl 2-(2-pyridin-4-ylethylamino)propanoate (PubChem CID 61499767) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-(2-pyridin-4-ylethylamino)propanoate.

Molecular Properties

Compound Namemethyl 2-(2-pyridin-4-ylethylamino)propanoate
PubChem CID61499767
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-(2-pyridin-4-ylethylamino)propanoate
SMILESCOC(=O)C(C)NCCc1ccncc1
InChIInChI=1S/C11H16N2O2/c1-9(11(14)15-2)13-8-5-10-3-6-12-7-4-10/h3-4,6-7,9,13H,5,8H2,1-2H3
InChIKeyISIHVVFQCYVMJH-UHFFFAOYSA-N
XLogP0.78
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
CID 79392378
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate
CID 126813614
N-(2-methoxyethyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902705
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
N-pentan-2-yl-2-(2-pyridin-4-ylethylamino)propanamide
CID 60903136
N-(ethylcarbamoyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902698
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 102869089
methyl 2-[2-[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]ethylamino]propanoate
CID 103748116
methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-pyridin-4-ylethylamino)propanoate?
The IUPAC name of methyl 2-(2-pyridin-4-ylethylamino)propanoate (CID 61499767) is methyl 2-(2-pyridin-4-ylethylamino)propanoate.
What is the SMILES notation for methyl 2-(2-pyridin-4-ylethylamino)propanoate?
The canonical SMILES for methyl 2-(2-pyridin-4-ylethylamino)propanoate is COC(=O)C(C)NCCc1ccncc1.
What is the InChIKey of methyl 2-(2-pyridin-4-ylethylamino)propanoate?
The InChIKey is ISIHVVFQCYVMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-9(11(14)15-2)13-8-5-10-3-6-12-7-4-10/h3-4,6-7,9,13H,5,8H2,1-2H3.
What are the key properties of methyl 2-(2-pyridin-4-ylethylamino)propanoate?
methyl 2-(2-pyridin-4-ylethylamino)propanoate has a molecular weight of 208.26 g/mol, XLogP of 0.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-pyridin-4-ylethylamino)propanoate is sourced from PubChem (CID 61499767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).