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

C10H15N3O3S — CID 103488392

IUPAC3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(NN2CCOCC2)n1
InChIInChI=1S/C10H15N3O3S/c14-9(15)2-1-8-7-17-10(11-8)12-13-3-5-16-6-4-13/h7H,1-6H2,(H,11,12)(H,14,15)
InChIKeyUZYNPYDDPVMJFS-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.82
Rot. Bonds5

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

3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid (PubChem CID 103488392) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid
PubChem CID103488392
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid
SMILESO=C(O)CCc1csc(NN2CCOCC2)n1
InChIInChI=1S/C10H15N3O3S/c14-9(15)2-1-8-7-17-10(11-8)12-13-3-5-16-6-4-13/h7H,1-6H2,(H,11,12)(H,14,15)
InChIKeyUZYNPYDDPVMJFS-UHFFFAOYSA-N
XLogP0.82
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-(morpholin-4-ylmethyl)-1,3-thiazol-4-yl]propanoic acid
CID 82120518
3-[2-[(4-amino-4-oxobutyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486432
3-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486023
2-[2-(3-morpholin-4-ylpropylamino)-1,3-thiazol-4-yl]acetic acid
CID 80575536
3-[2-(4-bromo-2,6-dimethylanilino)-1,3-thiazol-4-yl]propanoic acid
CID 103487757
3-[2-[(1-methylcyclopentyl)methylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103487564
4-[2-(pyrrolidine-1-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80655746
3-[2-(2,6-dichloro-4-fluoroanilino)-1,3-thiazol-4-yl]propanoic acid
CID 103488405
3-[2-[2-(carbamoylamino)ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103488416
3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488722
3-[2-[3-(2-methylpiperidin-1-yl)propylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103485952
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488290

Frequently Asked Questions

What is the IUPAC name of 3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid (CID 103488392) is 3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid is O=C(O)CCc1csc(NN2CCOCC2)n1.
What is the InChIKey of 3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is UZYNPYDDPVMJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-9(15)2-1-8-7-17-10(11-8)12-13-3-5-16-6-4-13/h7H,1-6H2,(H,11,12)(H,14,15).
What are the key properties of 3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid?
3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(morpholin-4-ylamino)-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 103488392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).