methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate

C11H16N2O2 — CID 175233983

IUPACmethyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
SMILESCOC(=O)C(N)CCc1ccc(C)nc1
InChIInChI=1S/C11H16N2O2/c1-8-3-4-9(7-13-8)5-6-10(12)11(14)15-2/h3-4,7,10H,5-6,12H2,1-2H3
InChIKeyQCTWEFQBHOPAQL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.82
Rot. Bonds4

About methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate

methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate (PubChem CID 175233983) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
PubChem CID175233983
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Namemethyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate
SMILESCOC(=O)C(N)CCc1ccc(C)nc1
InChIInChI=1S/C11H16N2O2/c1-8-3-4-9(7-13-8)5-6-10(12)11(14)15-2/h3-4,7,10H,5-6,12H2,1-2H3
InChIKeyQCTWEFQBHOPAQL-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-4-(4-propylphenyl)butanoate
CID 116851455
methyl 2-amino-4-(3,4-dimethylphenyl)butanoate
CID 116851437
methyl (2S)-2-amino-4-(4-methoxyphenyl)butanoate
CID 171935110
methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
CID 104822729
methyl (2S)-2-amino-4-phenylbutanoate
CID 10867190
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
methyl (2S)-2-[[2-(6-methyl-3-pyridinyl)acetyl]amino]propanoate
CID 47337828
2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
acetic acid;methyl (2S)-2-amino-4-phenylbutanoate
CID 170899372
methyl 2-amino-4-(3-methylphenyl)butanoate
CID 116851529
methyl 2-[(6-methyl-3-pyridinyl)methylamino]butanoate
CID 115353361
methyl 2-amino-4-(4-octylphenyl)butanoate;hydrochloride
CID 22618877

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate?
The IUPAC name of methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate (CID 175233983) is methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate.
What is the SMILES notation for methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate?
The canonical SMILES for methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate is COC(=O)C(N)CCc1ccc(C)nc1.
What is the InChIKey of methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate?
The InChIKey is QCTWEFQBHOPAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-8-3-4-9(7-13-8)5-6-10(12)11(14)15-2/h3-4,7,10H,5-6,12H2,1-2H3.
What are the key properties of methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate?
methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate has a molecular weight of 208.26 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(6-methyl-3-pyridinyl)butanoate is sourced from PubChem (CID 175233983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).