3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid

C12H18N2O4S — CID 82441961

IUPAC3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
SMILESCOCc1nc(N2CCOCC2)sc1CCC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-17-8-9-10(2-3-11(15)16)19-12(13-9)14-4-6-18-7-5-14/h2-8H2,1H3,(H,15,16)
InChIKeyBOOPIIAFQNGBFZ-UHFFFAOYSA-N
MW286.35 g/mol
LogP1.14
Rot. Bonds6

About 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid

3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82441961) has the molecular formula C12H18N2O4S and a molecular weight of 286.35 g/mol. Its IUPAC name is 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
PubChem CID82441961
Molecular FormulaC12H18N2O4S
Molecular Weight286.35 g/mol
Exact Mass286.10
IUPAC Name3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
SMILESCOCc1nc(N2CCOCC2)sc1CCC(=O)O
InChIInChI=1S/C12H18N2O4S/c1-17-8-9-10(2-3-11(15)16)19-12(13-9)14-4-6-18-7-5-14/h2-8H2,1H3,(H,15,16)
InChIKeyBOOPIIAFQNGBFZ-UHFFFAOYSA-N
XLogP1.14
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid (CID 82441961) is 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid is COCc1nc(N2CCOCC2)sc1CCC(=O)O.
What is the InChIKey of 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is BOOPIIAFQNGBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S/c1-17-8-9-10(2-3-11(15)16)19-12(13-9)14-4-6-18-7-5-14/h2-8H2,1H3,(H,15,16).
What are the key properties of 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid?
3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 286.35 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82441961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).