4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid

C11H14N2O4S — CID 119239816

IUPAC4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCc2nccs2)CCO1
InChIInChI=1S/C11H14N2O4S/c14-10(2-1-9-12-3-6-18-9)13-4-5-17-8(7-13)11(15)16/h3,6,8H,1-2,4-5,7H2,(H,15,16)
InChIKeyVCUKYFADNDWROQ-UHFFFAOYSA-N
MW270.31 g/mol
LogP0.39
Rot. Bonds4

About 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid

4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid (PubChem CID 119239816) has the molecular formula C11H14N2O4S and a molecular weight of 270.31 g/mol. Its IUPAC name is 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid
PubChem CID119239816
Molecular FormulaC11H14N2O4S
Molecular Weight270.31 g/mol
Exact Mass270.07
IUPAC Name4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCc2nccs2)CCO1
InChIInChI=1S/C11H14N2O4S/c14-10(2-1-9-12-3-6-18-9)13-4-5-17-8(7-13)11(15)16/h3,6,8H,1-2,4-5,7H2,(H,15,16)
InChIKeyVCUKYFADNDWROQ-UHFFFAOYSA-N
XLogP0.39
TPSA79.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[3-(1,3-thiazol-2-yl)propanoyl]morpholin-2-yl]acetic acid
CID 119248715
(2S)-4-(3-thiophen-3-ylpropanoyl)morpholine-2-carboxylic acid
CID 124700575
(3R)-3-methyl-1-[3-(1,3-thiazol-2-yl)propanoyl]piperidin-4-one
CID 129345042
1-(4-phenylpiperazin-1-yl)-3-(1,3-thiazol-2-yl)propan-1-one
CID 56687363
4-[3-(2-aminophenyl)propanoyl]morpholine-2-carboxylic acid
CID 107273042
(2R)-4-[3-(5-methylfuran-2-yl)propanoyl]morpholine-2-carboxylic acid
CID 124696036
(2R)-4-[3-[4-(trifluoromethyl)phenyl]propanoyl]morpholine-2-carboxylic acid
CID 124700706
(2S)-4-[3-(3,5-dimethoxyphenyl)propanoyl]morpholine-2-carboxylic acid
CID 125120675
4-(4-oxo-4-phenylbutanoyl)morpholine-2-carboxylic acid
CID 119239623
(2S)-4-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoyl]morpholine-2-carboxylic acid
CID 129467091
(2R)-4-[3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoyl]morpholine-2-carboxylic acid
CID 124697278
(2S)-4-[3-(2,4-dimethylphenyl)propanoyl]morpholine-2-carboxylic acid
CID 124696038

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid (CID 119239816) is 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid is O=C(O)C1CN(C(=O)CCc2nccs2)CCO1.
What is the InChIKey of 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid?
The InChIKey is VCUKYFADNDWROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4S/c14-10(2-1-9-12-3-6-18-9)13-4-5-17-8(7-13)11(15)16/h3,6,8H,1-2,4-5,7H2,(H,15,16).
What are the key properties of 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid?
4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid has a molecular weight of 270.31 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,3-thiazol-2-yl)propanoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119239816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).