ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate

C12H20N2O3S — CID 103263521

IUPACethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
SMILESCCOC(=O)CC(O)CNC(C)c1ncc(C)s1
InChIInChI=1S/C12H20N2O3S/c1-4-17-11(16)5-10(15)7-13-9(3)12-14-6-8(2)18-12/h6,9-10,13,15H,4-5,7H2,1-3H3
InChIKeyGWAOZVABKODBPU-UHFFFAOYSA-N
MW272.37 g/mol
LogP1.42
Rot. Bonds7

About ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate

ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate (PubChem CID 103263521) has the molecular formula C12H20N2O3S and a molecular weight of 272.37 g/mol. Its IUPAC name is ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate.

Molecular Properties

Compound Nameethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
PubChem CID103263521
Molecular FormulaC12H20N2O3S
Molecular Weight272.37 g/mol
Exact Mass272.12
IUPAC Nameethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate
SMILESCCOC(=O)CC(O)CNC(C)c1ncc(C)s1
InChIInChI=1S/C12H20N2O3S/c1-4-17-11(16)5-10(15)7-13-9(3)12-14-6-8(2)18-12/h6,9-10,13,15H,4-5,7H2,1-3H3
InChIKeyGWAOZVABKODBPU-UHFFFAOYSA-N
XLogP1.42
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-3-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]propan-1-ol
CID 104579964
ethyl 3-hydroxy-4-(1-phenylethylamino)butanoate
CID 103230788
5-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]pentanoic acid
CID 103263524
ethyl 4-[1-(furan-2-yl)ethylamino]-3-hydroxybutanoate
CID 103238482
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 103814989
methyl (Z)-2-ethyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
CID 103263533
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]ethanesulfonamide
CID 115681436
ethyl 5-methyl-2-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-4-carboxylate
CID 116527076
methyl (E)-2-methyl-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]but-2-enoate
CID 104579967
ethyl 4-[1-(4-cyanophenyl)ethylamino]-3-hydroxybutanoate
CID 103240179
methyl 4-[1-(5-methyl-1,3-thiazol-2-yl)ethylsulfamoyl]butanoate
CID 112697354
(2S)-2-amino-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]propanamide;dihydrochloride
CID 119898126

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate?
The IUPAC name of ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate (CID 103263521) is ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate.
What is the SMILES notation for ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate?
The canonical SMILES for ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate is CCOC(=O)CC(O)CNC(C)c1ncc(C)s1.
What is the InChIKey of ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate?
The InChIKey is GWAOZVABKODBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3S/c1-4-17-11(16)5-10(15)7-13-9(3)12-14-6-8(2)18-12/h6,9-10,13,15H,4-5,7H2,1-3H3.
What are the key properties of ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate?
ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate has a molecular weight of 272.37 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-4-[1-(5-methyl-1,3-thiazol-2-yl)ethylamino]butanoate is sourced from PubChem (CID 103263521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).