2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid

C12H18N2O3S — CID 113369909

IUPAC2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCC1COCCN1c1nc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C12H18N2O3S/c1-8-6-17-5-4-14(8)11-13-9(7-18-11)12(2,3)10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyRALPBRJUOCRZRY-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.73
Rot. Bonds3

About 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid

2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 113369909) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid
PubChem CID113369909
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid
SMILESCC1COCCN1c1nc(C(C)(C)C(=O)O)cs1
InChIInChI=1S/C12H18N2O3S/c1-8-6-17-5-4-14(8)11-13-9(7-18-11)12(2,3)10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16)
InChIKeyRALPBRJUOCRZRY-UHFFFAOYSA-N
XLogP1.73
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-2-[2-(4-methylpiperazin-1-yl)-1,3-thiazol-4-yl]propanoic acid
CID 113369888
4-(4-chloro-1,3-thiazol-2-yl)-3-methyl-1,4-oxazepane
CID 130804649
2-[2-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-thiazol-4-yl]-2-methylpropanoic acid
CID 113369962
methyl 4-(4-chloro-1,3-thiazol-2-yl)morpholine-3-carboxylate
CID 104775148
6-[(3R)-3-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 94378498
3-methyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine
CID 130685662
2-methyl-2-[2-(oxan-4-ylmethylamino)-1,3-thiazol-4-yl]propanoic acid
CID 113369967
2-methyl-2-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889189
6-chloro-2-(3-methylmorpholin-4-yl)pyridine-3-carboxylic acid
CID 55185257
2-[4-chloro-6-(3-methylmorpholin-4-yl)-2-pyridinyl]propan-2-ol
CID 166983217
2-tert-butyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80966887
4-(4-chloro-1,3-thiazol-2-yl)-3-ethylmorpholine
CID 83157051

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid (CID 113369909) is 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid is CC1COCCN1c1nc(C(C)(C)C(=O)O)cs1.
What is the InChIKey of 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is RALPBRJUOCRZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c1-8-6-17-5-4-14(8)11-13-9(7-18-11)12(2,3)10(15)16/h7-8H,4-6H2,1-3H3,(H,15,16).
What are the key properties of 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid?
2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 270.35 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(3-methylmorpholin-4-yl)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 113369909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).