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

C10H14N2O2 — CID 130689989

IUPACmethyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)[C@@](C)(N)c1cc(C)ccn1
InChIInChI=1S/C10H14N2O2/c1-7-4-5-12-8(6-7)10(2,11)9(13)14-3/h4-6H,11H2,1-3H3/t10-/m0/s1
InChIKeyYKYYKBWAPOCGCM-JTQLQIEISA-N
MW194.23 g/mol
LogP0.74
Rot. Bonds2

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

methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate (PubChem CID 130689989) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
PubChem CID130689989
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate
SMILESCOC(=O)[C@@](C)(N)c1cc(C)ccn1
InChIInChI=1S/C10H14N2O2/c1-7-4-5-12-8(6-7)10(2,11)9(13)14-3/h4-6H,11H2,1-3H3/t10-/m0/s1
InChIKeyYKYYKBWAPOCGCM-JTQLQIEISA-N
XLogP0.74
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 55295646
(3S)-3-amino-3-(4-methyl-2-pyridinyl)butanoic acid
CID 130771167
methyl (2S)-2-amino-2-(2-bromo-4-pyridinyl)propanoate
CID 131080958
methyl (2R)-2-amino-2-(5-hydroxy-2-pyridinyl)propanoate
CID 130949057
methyl 3-amino-2,2-dimethyl-3-(4-methyl-2-pyridinyl)propanoate
CID 165351369
methyl (2R)-2-amino-2-(1,3-thiazol-4-yl)propanoate
CID 57171667
(2R)-1,1,1-trifluoro-2-(4-methyl-2-pyridinyl)propan-2-ol
CID 97290499
methyl (2R)-2-amino-2-phenylpropanoate;hydrochloride
CID 141027321
methyl 4-methylpyridine-2-carboxylate
CID 10920693
methyl (2S)-2-amino-3-(4-methyl-2-pyridinyl)propanoate
CID 155904663
methyl (2S)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311074
methyl (2R)-2-amino-2-(3,4-dichlorophenyl)propanoate
CID 93311073

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate?
The IUPAC name of methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate (CID 130689989) is methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate?
The canonical SMILES for methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate is COC(=O)[C@@](C)(N)c1cc(C)ccn1.
What is the InChIKey of methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate?
The InChIKey is YKYYKBWAPOCGCM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-4-5-12-8(6-7)10(2,11)9(13)14-3/h4-6H,11H2,1-3H3/t10-/m0/s1.
What are the key properties of methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate?
methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-2-(4-methyl-2-pyridinyl)propanoate is sourced from PubChem (CID 130689989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).