3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid

C11H16N2O3S — CID 82120518

IUPAC3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(CN2CCOCC2)n1
InChIInChI=1S/C11H16N2O3S/c14-11(15)2-1-9-8-17-10(12-9)7-13-3-5-16-6-4-13/h8H,1-7H2,(H,14,15)
InChIKeyMSEYABZYFTYZSW-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.99
Rot. Bonds5

About 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid

3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 82120518) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID82120518
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(CN2CCOCC2)n1
InChIInChI=1S/C11H16N2O3S/c14-11(15)2-1-9-8-17-10(12-9)7-13-3-5-16-6-4-13/h8H,1-7H2,(H,14,15)
InChIKeyMSEYABZYFTYZSW-UHFFFAOYSA-N
XLogP0.99
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488392
N-cyclopropyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386935
N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]propanamide
CID 108746674
1-(4-methylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386953
1-(4-ethylpiperazin-1-yl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]ethanone
CID 110386954
2,2,2-trifluoro-N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 108768844
N-cyclohexyl-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110386943
3-[2-(2-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylpropan-1-one
CID 94279636
N-(4-ethylphenyl)-2-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]acetamide
CID 110387017
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
2-chloroethyl N-methyl-N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]carbamate
CID 108746686
N-[[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 82515489

Frequently Asked Questions

What is the IUPAC name of 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid (CID 82120518) is 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid is O=C(O)CCc1csc(CN2CCOCC2)n1.
What is the InChIKey of 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is MSEYABZYFTYZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c14-11(15)2-1-9-8-17-10(12-9)7-13-3-5-16-6-4-13/h8H,1-7H2,(H,14,15).
What are the key properties of 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 256.33 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 82120518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).