ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate

C12H18N2O3 — CID 139770420

IUPACethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1cnc(C)c(O)c1CN
InChIInChI=1S/C12H18N2O3/c1-3-17-11(15)5-4-9-7-14-8(2)12(16)10(9)6-13/h7,16H,3-6,13H2,1-2H3
InChIKeySSAKIGQPMSGKIG-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.05
Rot. Bonds5

About ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate

ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate (PubChem CID 139770420) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate
PubChem CID139770420
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Nameethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate
SMILESCCOC(=O)CCc1cnc(C)c(O)c1CN
InChIInChI=1S/C12H18N2O3/c1-3-17-11(15)5-4-9-7-14-8(2)12(16)10(9)6-13/h7,16H,3-6,13H2,1-2H3
InChIKeySSAKIGQPMSGKIG-UHFFFAOYSA-N
XLogP1.05
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[5-hydroxy-4-(hydroxymethyl)-6-methyl-3-pyridinyl]propanoate
CID 71252994
ethyl 2-(5-hydroxy-4,6-dimethyl-3-pyridinyl)acetate
CID 129116376
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102379
[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]methyl methyl hydrogen phosphate
CID 59068359
4-(aminomethyl)-2-methyl-5-(phenylmethoxymethyl)pyridin-3-ol
CID 67719526
4-(aminomethyl)-5-(5-hydroxypentoxymethyl)-2-methylpyridin-3-ol
CID 139741281
ethyl 3-(4-amino-6-methylpyrimidin-5-yl)propanoate
CID 70859663
ethyl 5-hydroxy-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate
CID 45097237
methyl 2-[4-(acetyloxymethyl)-5-hydroxy-6-methyl-3-pyridinyl]acetate
CID 137357201
ethyl 3-(4-hydroxy-2,5-dimethylphenyl)propanoate
CID 58566683
ethyl 5-[5-(aminomethyl)pyrimidin-2-yl]pentanoate
CID 71743527
4,5-bis(hydroxymethyl)-2-methylpyridin-3-ol;hexanedioic acid
CID 175280730

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate?
The IUPAC name of ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate (CID 139770420) is ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate.
What is the SMILES notation for ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate?
The canonical SMILES for ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate is CCOC(=O)CCc1cnc(C)c(O)c1CN.
What is the InChIKey of ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate?
The InChIKey is SSAKIGQPMSGKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-17-11(15)5-4-9-7-14-8(2)12(16)10(9)6-13/h7,16H,3-6,13H2,1-2H3.
What are the key properties of ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate?
ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate has a molecular weight of 238.29 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-(aminomethyl)-5-hydroxy-6-methyl-3-pyridinyl]propanoate is sourced from PubChem (CID 139770420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).