3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid

C8H11N3O3S — CID 43466606

IUPAC3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid
SMILESO=C(O)CCNCC(=O)Nc1nccs1
InChIInChI=1S/C8H11N3O3S/c12-6(5-9-2-1-7(13)14)11-8-10-3-4-15-8/h3-4,9H,1-2,5H2,(H,13,14)(H,10,11,12)
InChIKeyVEMUYLCAMVZMFY-UHFFFAOYSA-N
MW229.26 g/mol
LogP0.15
Rot. Bonds6

About 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid

3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid (PubChem CID 43466606) has the molecular formula C8H11N3O3S and a molecular weight of 229.26 g/mol. Its IUPAC name is 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid
PubChem CID43466606
Molecular FormulaC8H11N3O3S
Molecular Weight229.26 g/mol
Exact Mass229.05
IUPAC Name3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid
SMILESO=C(O)CCNCC(=O)Nc1nccs1
InChIInChI=1S/C8H11N3O3S/c12-6(5-9-2-1-7(13)14)11-8-10-3-4-15-8/h3-4,9H,1-2,5H2,(H,13,14)(H,10,11,12)
InChIKeyVEMUYLCAMVZMFY-UHFFFAOYSA-N
XLogP0.15
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.26
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-Thiazol-2-yl-succinamic acid
CID 255363
3-((1,3-Thiazol-2-yl)amino)propanoic acid
CID 10559109
2-Amino-N-(thiazol-2-yl)acetamide
CID 20558664
N1-(3-methoxypropyl)-N2-(thiazol-2-yl)oxalamide
CID 5061851
2-(Piperazin-1-yl)-N-(thiazol-2-yl)acetamide
CID 2760444
2-Thiazolealanine
CID 5488184
N1-cyclopropyl-N2-(thiazol-2-yl)oxalamide
CID 1635128
N-(propan-2-yl)-N'-(1,3-thiazol-2-yl)ethanediamide
CID 1841217
N~1~-isobutyl-N~2~-(1,3-thiazol-2-yl)ethanediamide
CID 3122898
2-[(1,3-Thiazol-2-yl)carbamoyl]acetic acid
CID 12655699
Methyl 2-(thiazol-2-ylcarbamoyl)acetate
CID 28637902
S-2-((2-Thiazolylcarbamoyl)ethyl)aminoethyl hydrogen thiosulfate
CID 152918

Frequently Asked Questions

What is the IUPAC name of 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid?
The IUPAC name of 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid (CID 43466606) is 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid is O=C(O)CCNCC(=O)Nc1nccs1.
What is the InChIKey of 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid?
The InChIKey is VEMUYLCAMVZMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3S/c12-6(5-9-2-1-7(13)14)11-8-10-3-4-15-8/h3-4,9H,1-2,5H2,(H,13,14)(H,10,11,12).
What are the key properties of 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid?
3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid has a molecular weight of 229.26 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 43466606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).