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

C10H15N3O3S — CID 54899843

IUPAC3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O3S/c1-2-13(5-3-9(15)16)7-8(14)12-10-11-4-6-17-10/h4,6H,2-3,5,7H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyHZKNHYKTXPQQNB-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.88
Rot. Bonds7

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

3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid (PubChem CID 54899843) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid
PubChem CID54899843
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)CC(=O)Nc1nccs1
InChIInChI=1S/C10H15N3O3S/c1-2-13(5-3-9(15)16)7-8(14)12-10-11-4-6-17-10/h4,6H,2-3,5,7H2,1H3,(H,15,16)(H,11,12,14)
InChIKeyHZKNHYKTXPQQNB-UHFFFAOYSA-N
XLogP0.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-Thiazol-2-yl-succinamic acid
CID 255363
3-((1,3-Thiazol-2-yl)amino)propanoic acid
CID 10559109
2-(Dimethylamino)-N-2-thiazolylacetamide
CID 12562481
N-(1,3-Thiazol-2-yl)propanamide
CID 247650
N1-(3-methoxypropyl)-N2-(thiazol-2-yl)oxalamide
CID 5061851
2-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 66573025
2-Thiazolealanine
CID 5488184
3-(4-methylpiperazin-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 550743
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
3-{2,4-Dioxo-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-1,3-thiazolidin-3-yl}propanoic acid
CID 4135748
2-[(1,3-Thiazol-2-yl)carbamoyl]acetic acid
CID 12655699

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid (CID 54899843) is 3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid is CCN(CCC(=O)O)CC(=O)Nc1nccs1.
What is the InChIKey of 3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid?
The InChIKey is HZKNHYKTXPQQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-2-13(5-3-9(15)16)7-8(14)12-10-11-4-6-17-10/h4,6H,2-3,5,7H2,1H3,(H,15,16)(H,11,12,14).
What are the key properties of 3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid?
3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid has a molecular weight of 257.31 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]propanoic acid is sourced from PubChem (CID 54899843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).