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

C10H14N2O2 — CID 55278233

IUPACmethyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccncc1C
InChIInChI=1S/C10H14N2O2/c1-7-6-12-4-3-8(7)9(11)5-10(13)14-2/h3-4,6,9H,5,11H2,1-2H3/t9-/m1/s1
InChIKeyKOOKJJDITHFCHW-SECBINFHSA-N
MW194.23 g/mol
LogP0.95
Rot. Bonds3

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

methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate (PubChem CID 55278233) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
PubChem CID55278233
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Namemethyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate
SMILESCOC(=O)C[C@@H](N)c1ccncc1C
InChIInChI=1S/C10H14N2O2/c1-7-6-12-4-3-8(7)9(11)5-10(13)14-2/h3-4,6,9H,5,11H2,1-2H3/t9-/m1/s1
InChIKeyKOOKJJDITHFCHW-SECBINFHSA-N
XLogP0.95
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 ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-3-(3-chloro-4-pyridinyl)propanoate
CID 165494271
methyl (3R)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171249752
methyl (3R)-3-amino-3-(2,4-dimethylphenyl)propanoate
CID 7256494
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate
CID 171243019
methyl (3S)-3-amino-3-(2,3-difluoro-4-methylphenyl)propanoate;hydrochloride
CID 171243020
methyl 3-amino-3-isoquinolin-4-ylpropanoate
CID 104504325
methyl 3-amino-3-[5-(3,5-dimethyl-4-pyridinyl)-3-pyridinyl]propanoate
CID 175085515
methyl 3-[(3-methyl-4-pyridinyl)methylamino]butanoate
CID 114699901
methyl 3-amino-3-pyrimidin-5-ylpropanoate
CID 162342005
methyl (3S)-3-amino-3-(2-amino-3-pyridinyl)propanoate;hydrochloride
CID 171243481
methyl 3-amino-3-(2-bromo-3-pyridinyl)propanoate
CID 165494272
methyl (2R)-2-amino-3-(3-methyl-4-pyridinyl)propanoate
CID 55277902

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate?
The IUPAC name of methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate (CID 55278233) is methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate.
What is the SMILES notation for methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate?
The canonical SMILES for methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate is COC(=O)C[C@@H](N)c1ccncc1C.
What is the InChIKey of methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate?
The InChIKey is KOOKJJDITHFCHW-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-6-12-4-3-8(7)9(11)5-10(13)14-2/h3-4,6,9H,5,11H2,1-2H3/t9-/m1/s1.
What are the key properties of methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate?
methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate has a molecular weight of 194.23 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-(3-methyl-4-pyridinyl)propanoate is sourced from PubChem (CID 55278233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).