ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate

C11H15NO3 — CID 90379419

IUPACethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
SMILESCCOC(=O)C[C@H](O)c1cc(C)ccn1
InChIInChI=1S/C11H15NO3/c1-3-15-11(14)7-10(13)9-6-8(2)4-5-12-9/h4-6,10,13H,3,7H2,1-2H3/t10-/m0/s1
InChIKeyBUAHXLBGLMKIQQ-JTQLQIEISA-N
MW209.24 g/mol
LogP1.38
Rot. Bonds4

About ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate

ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate (PubChem CID 90379419) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate.

Molecular Properties

Compound Nameethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
PubChem CID90379419
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Nameethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate
SMILESCCOC(=O)C[C@H](O)c1cc(C)ccn1
InChIInChI=1S/C11H15NO3/c1-3-15-11(14)7-10(13)9-6-8(2)4-5-12-9/h4-6,10,13H,3,7H2,1-2H3/t10-/m0/s1
InChIKeyBUAHXLBGLMKIQQ-JTQLQIEISA-N
XLogP1.38
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate 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

ethyl 3,4-dihydroxy-4-(4-methyl-2-pyridinyl)butanoate
CID 171896871
2-amino-1-(4-methyl-2-pyridinyl)ethanol;dihydrochloride
CID 71742337
3-amino-1-(4-methyl-2-pyridinyl)propan-1-ol
CID 130153201
2-amino-2-(4-methyl-2-pyridinyl)acetic acid
CID 55293255
2,3-dihydroxy-3-(4-methyl-2-pyridinyl)propanoic acid
CID 170823470
ethyl (3S)-3-hydroxy-3-phenylpropanoate
CID 853697
1-(4-methyl-2-pyridinyl)tridecan-1-ol
CID 63840083
2-ethoxy-1-(4-methyl-2-pyridinyl)ethanamine
CID 79575554
ethyl (3S)-3-hydroxy-3-[2-(3-methylphenyl)-1,3-thiazol-4-yl]propanoate
CID 102139994
(1S)-1-(4-methyl-2-pyridinyl)ethanol
CID 64712746
ethyl 3-hydroxy-3-quinolin-2-ylpropanoate
CID 59168927
ethyl (3S)-3-hydroxy-3-naphthalen-2-ylpropanoate
CID 13023961

Frequently Asked Questions

What is the IUPAC name of ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate?
The IUPAC name of ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate (CID 90379419) is ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate.
What is the SMILES notation for ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate?
The canonical SMILES for ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate is CCOC(=O)C[C@H](O)c1cc(C)ccn1.
What is the InChIKey of ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate?
The InChIKey is BUAHXLBGLMKIQQ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-15-11(14)7-10(13)9-6-8(2)4-5-12-9/h4-6,10,13H,3,7H2,1-2H3/t10-/m0/s1.
What are the key properties of ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate?
ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate has a molecular weight of 209.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3S)-3-hydroxy-3-(4-methyl-2-pyridinyl)propanoate is sourced from PubChem (CID 90379419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).