methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate

C11H16N2O2 — CID 66098092

IUPACmethyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate
SMILESCOC(=O)CC(C)(CN)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-11(8-12,6-10(14)15-2)9-4-3-5-13-7-9/h3-5,7H,6,8,12H2,1-2H3
InChIKeyWGLVXWFASSYJJO-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.86
Rot. Bonds4

About methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate

methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate (PubChem CID 66098092) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate
PubChem CID66098092
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate
SMILESCOC(=O)CC(C)(CN)c1cccnc1
InChIInChI=1S/C11H16N2O2/c1-11(8-12,6-10(14)15-2)9-4-3-5-13-7-9/h3-5,7H,6,8,12H2,1-2H3
InChIKeyWGLVXWFASSYJJO-UHFFFAOYSA-N
XLogP0.86
TPSA65.21 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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-amino-3-methyl-3-pyrazin-2-ylbutanoate
CID 66099125
ethyl 3-methyl-4-(4-methylphenyl)-3-pyridin-3-ylbutanoate
CID 18624181
methyl 4-amino-3-methyl-3-thiophen-3-ylbutanoate
CID 66097243
3-(methylamino)-3-pyridin-3-ylbutanamide
CID 65236236
methyl 2-methyl-2-pyridin-3-ylpropanoate
CID 54537815
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
2-methyl-2-pyridin-3-ylpropane-1,3-diol
CID 130130273
methyl 2-bromo-2-pyridin-3-ylpropanoate
CID 22902516
3-amino-2,2-dimethyl-N-(2-methyl-2-pyridin-3-ylpropyl)propanamide
CID 115154800
methyl 4-[(2-methyl-2-pyridin-3-ylpropyl)amino]butanoate
CID 115233553
(3S)-3-amino-N-methyl-3-pyridin-3-ylbutanamide
CID 89248077
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate?
The IUPAC name of methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate (CID 66098092) is methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate.
What is the SMILES notation for methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate?
The canonical SMILES for methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate is COC(=O)CC(C)(CN)c1cccnc1.
What is the InChIKey of methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate?
The InChIKey is WGLVXWFASSYJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(8-12,6-10(14)15-2)9-4-3-5-13-7-9/h3-5,7H,6,8,12H2,1-2H3.
What are the key properties of methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate?
methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate has a molecular weight of 208.26 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-methyl-3-pyridin-3-ylbutanoate is sourced from PubChem (CID 66098092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).