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

C10H14N2O2 — CID 55277902

IUPACmethyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccncc1C
InChIInChI=1S/C10H14N2O2/c1-7-6-12-4-3-8(7)5-9(11)10(13)14-2/h3-4,6,9H,5,11H2,1-2H3/t9-/m1/s1
InChIKeyKMYSTQSMOFHEDT-SECBINFHSA-N
MW194.23 g/mol
LogP0.43
Rot. Bonds3

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

methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate (PubChem CID 55277902) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate
PubChem CID55277902
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate
SMILESCOC(=O)[C@H](N)Cc1ccncc1C
InChIInChI=1S/C10H14N2O2/c1-7-6-12-4-3-8(7)5-9(11)10(13)14-2/h3-4,6,9H,5,11H2,1-2H3/t9-/m1/s1
InChIKeyKMYSTQSMOFHEDT-SECBINFHSA-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

methyl (2S)-2-amino-3-(2,4-dimethylphenyl)propanoate
CID 91978759
methyl (2S)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 20846170
methyl (2R)-2-amino-3-(4-hydroxy-2-methylphenyl)propanoate
CID 15730454
2-methyl-3-(3-methyl-4-pyridinyl)propanoic acid
CID 115008773
methyl 4-[(2S)-2-amino-3-methoxy-3-oxopropyl]-3-methylbenzoate
CID 171238342
methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
CID 114699901
methyl (2S)-2-amino-3-(2-fluoro-3-methylphenyl)propanoate
CID 171238438
methyl (2S)-2-amino-3-(4-pyridin-4-ylphenyl)propanoate
CID 66719580
(2R)-2-amino-N-[(3-methyl-4-pyridinyl)methyl]-3-phenylpropanamide
CID 104941410
(2R)-2-amino-4-methyl-N-[(3-methyl-4-pyridinyl)methyl]pentanamide
CID 104941409
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55278233
methyl 2-amino-3-(5-methyl-1H-pyrazol-4-yl)propanoate;hydrochloride
CID 170884317

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate?
The IUPAC name of methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate (CID 55277902) is methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate.
What is the SMILES notation for methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate?
The canonical SMILES for methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate is COC(=O)[C@H](N)Cc1ccncc1C.
What is the InChIKey of methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate?
The InChIKey is KMYSTQSMOFHEDT-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-12-4-3-8(7)5-9(11)10(13)14-2/h3-4,6,9H,5,11H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate?
methyl (2R)-2-amino-3-(3-methyl-4-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 (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate is sourced from PubChem (CID 55277902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).