methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate

C13H20N2O2 — CID 79392378

IUPACmethyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
SMILESCOC(=O)C(C)C(C)NCCc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-10(13(16)17-3)11(2)15-9-6-12-4-7-14-8-5-12/h4-5,7-8,10-11,15H,6,9H2,1-3H3
InChIKeyRCUWKGYFQNQDCC-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.41
Rot. Bonds6

About methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate

methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate (PubChem CID 79392378) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
PubChem CID79392378
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate
SMILESCOC(=O)C(C)C(C)NCCc1ccncc1
InChIInChI=1S/C13H20N2O2/c1-10(13(16)17-3)11(2)15-9-6-12-4-7-14-8-5-12/h4-5,7-8,10-11,15H,6,9H2,1-3H3
InChIKeyRCUWKGYFQNQDCC-UHFFFAOYSA-N
XLogP1.41
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2-pyridin-4-ylethylamino)propanoate
CID 61499767
methyl 3-methyl-2-(2-pyridin-4-ylethylamino)pentanoate
CID 126813614
3-methyl-N-(2-pyridin-4-ylethyl)butan-2-amine
CID 60647906
methyl (2S)-2-(pyridin-4-ylmethylamino)propanoate
CID 43230288
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
1,1-difluoro-N-(2-pyridin-4-ylethyl)propan-2-amine
CID 102869089
3-methyl-2-(2-pyridin-4-ylethylamino)butanoic acid
CID 60890928
N-(2-methoxyethyl)-2-(2-pyridin-4-ylethylamino)propanamide
CID 60902705
N-(2-pyridin-4-ylethyl)propan-2-amine;dihydrochloride
CID 91928341
methyl 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoate
CID 60890946
2-methyl-3-(2-phenylethylamino)butanoic acid
CID 79391507
(2R)-2-hydroxy-N-(2-pyridin-4-ylethyl)propanamide
CID 99965178

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate?
The IUPAC name of methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate (CID 79392378) is methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate.
What is the SMILES notation for methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate?
The canonical SMILES for methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate is COC(=O)C(C)C(C)NCCc1ccncc1.
What is the InChIKey of methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate?
The InChIKey is RCUWKGYFQNQDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(13(16)17-3)11(2)15-9-6-12-4-7-14-8-5-12/h4-5,7-8,10-11,15H,6,9H2,1-3H3.
What are the key properties of methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate?
methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate has a molecular weight of 236.31 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-(2-pyridin-4-ylethylamino)butanoate is sourced from PubChem (CID 79392378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).