methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate

C11H15NO3 — CID 122545540

IUPACmethyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)Cc1ccnc(OC)c1
InChIInChI=1S/C11H15NO3/c1-8(11(13)15-3)6-9-4-5-12-10(7-9)14-2/h4-5,7-8H,6H2,1-3H3/t8-/m0/s1
InChIKeyKECSQOOWGABCPY-QMMMGPOBSA-N
MW209.25 g/mol
LogP1.44
Rot. Bonds4

About methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate

methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate (PubChem CID 122545540) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
PubChem CID122545540
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
SMILESCOC(=O)[C@@H](C)Cc1ccnc(OC)c1
InChIInChI=1S/C11H15NO3/c1-8(11(13)15-3)6-9-4-5-12-10(7-9)14-2/h4-5,7-8H,6H2,1-3H3/t8-/m0/s1
InChIKeyKECSQOOWGABCPY-QMMMGPOBSA-N
XLogP1.44
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-formyl-3-(2-methoxy-4-pyridinyl)propanoate
CID 88621227
(2S)-1-(2-methoxy-4-pyridinyl)propan-2-amine
CID 96849754
ethyl (2R)-2-amino-3-(2-methoxy-4-pyridinyl)propanoate
CID 124559660
ethane;methyl (2S)-3-[3-[[3-(2-methoxy-4-pyridinyl)cyclobutyl]methoxy]phenyl]-2-methylpropanoate
CID 144899366
2-[(2-methoxy-4-pyridinyl)methylsulfamoyl]propanoic acid
CID 55141905
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
5-amino-N-[(2-methoxy-4-pyridinyl)methyl]-4-methylpentanamide
CID 82012306
methyl 5-[1-[(2-methoxy-4-pyridinyl)methylamino]ethyl]furan-2-carboxylate
CID 103250198
methyl (2S)-3-[7-[2-fluoro-4-(2-methoxy-4-pyridinyl)phenyl]-5,6-dihydronaphthalen-2-yl]-2-methylpropanoate
CID 145014351
ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
methyl 2-methyl-3-phenylpropanoate
CID 11105919

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate?
The IUPAC name of methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate (CID 122545540) is methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate.
What is the SMILES notation for methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate?
The canonical SMILES for methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate is COC(=O)[C@@H](C)Cc1ccnc(OC)c1.
What is the InChIKey of methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate?
The InChIKey is KECSQOOWGABCPY-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8(11(13)15-3)6-9-4-5-12-10(7-9)14-2/h4-5,7-8H,6H2,1-3H3/t8-/m0/s1.
What are the key properties of methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate?
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate has a molecular weight of 209.25 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate is sourced from PubChem (CID 122545540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).