methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate

C10H14N2O2 — CID 155904663

IUPACmethyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1cc(C)ccn1
InChIInChI=1S/C10H14N2O2/c1-7-3-4-12-8(5-7)6-9(11)10(13)14-2/h3-5,9H,6,11H2,1-2H3/t9-/m0/s1
InChIKeyLLXMJCNXLWVAQX-VIFPVBQESA-N
MW194.23 g/mol
LogP0.43
Rot. Bonds3

About methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate

methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate (PubChem CID 155904663) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
PubChem CID155904663
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)[C@@H](N)Cc1cc(C)ccn1
InChIInChI=1S/C10H14N2O2/c1-7-3-4-12-8(5-7)6-9(11)10(13)14-2/h3-5,9H,6,11H2,1-2H3/t9-/m0/s1
InChIKeyLLXMJCNXLWVAQX-VIFPVBQESA-N
XLogP0.43
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55267483
(2R)-2-amino-3-(4-methyl-2-pyridinyl)propanoic acid
CID 55293351
ethane;methyl 2-(4-methyl-2-pyridinyl)acetate
CID 144506268
methyl (2S)-2-amino-3-[4-[2-(hydroxymethyl)-4-pyridinyl]phenyl]propanoate
CID 66719274
methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
(4-methyl-2-pyridinyl)methylcarbamic acid
CID 155229563
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl (2S)-2-amino-3-[4-[(2-methyl-4-pyridinyl)oxy]phenyl]propanoate
CID 66719771
methyl (2S)-2-amino-3-(2-fluoro-4-methylphenyl)propanoate;hydrochloride
CID 146160453
2-[(2S)-2,3-dimethylbutyl]-4-methylpyridine
CID 152828234
N-[(4-methyl-2-pyridinyl)methyl]acetamide
CID 121378939
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate (CID 155904663) is methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate is COC(=O)[C@@H](N)Cc1cc(C)ccn1.
What is the InChIKey of methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate?
The InChIKey is LLXMJCNXLWVAQX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-3-4-12-8(5-7)6-9(11)10(13)14-2/h3-5,9H,6,11H2,1-2H3/t9-/m0/s1.
What are the key properties of methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate?
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate is sourced from PubChem (CID 155904663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).