3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid

C13H18N2O3S — CID 82438113

IUPAC3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1sc(N2CCOCC2)nc1C1CC1
InChIInChI=1S/C13H18N2O3S/c16-11(17)4-3-10-12(9-1-2-9)14-13(19-10)15-5-7-18-8-6-15/h9H,1-8H2,(H,16,17)
InChIKeyRPNYPVUOLSPVQN-UHFFFAOYSA-N
MW282.36 g/mol
LogP1.87
Rot. Bonds5

About 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid

3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid (PubChem CID 82438113) has the molecular formula C13H18N2O3S and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
PubChem CID82438113
Molecular FormulaC13H18N2O3S
Molecular Weight282.36 g/mol
Exact Mass282.10
IUPAC Name3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
SMILESO=C(O)CCc1sc(N2CCOCC2)nc1C1CC1
InChIInChI=1S/C13H18N2O3S/c16-11(17)4-3-10-12(9-1-2-9)14-13(19-10)15-5-7-18-8-6-15/h9H,1-8H2,(H,16,17)
InChIKeyRPNYPVUOLSPVQN-UHFFFAOYSA-N
XLogP1.87
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82431077
3-(4-tert-butyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid
CID 82439738
3-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]propanoic acid
CID 82441961
2-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propan-2-ol
CID 82438106
3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
CID 82437655
2-[4-(methoxymethyl)-2-morpholin-4-yl-1,3-thiazol-5-yl]acetic acid
CID 82441955
(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
CID 63918102
3-[4-cyclopropyl-2-(4-ethylphenyl)-1,3-thiazol-5-yl]propanoic acid
CID 82437399
5-bromo-2-morpholin-4-yl-1,3-thiazole-4-carboxylic acid
CID 154878988
4-amino-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 154487330
3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82433351
3-(5-morpholin-4-yl-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanoic acid
CID 69225392

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The IUPAC name of 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid (CID 82438113) is 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid.
What is the SMILES notation for 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The canonical SMILES for 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid is O=C(O)CCc1sc(N2CCOCC2)nc1C1CC1.
What is the InChIKey of 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
The InChIKey is RPNYPVUOLSPVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c16-11(17)4-3-10-12(9-1-2-9)14-13(19-10)15-5-7-18-8-6-15/h9H,1-8H2,(H,16,17).
What are the key properties of 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid?
3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid has a molecular weight of 282.36 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyclopropyl-2-morpholin-4-yl-1,3-thiazol-5-yl)propanoic acid is sourced from PubChem (CID 82438113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).