3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid

C11H17N3O3S — CID 62852454

IUPAC3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H17N3O3S/c1-3-14(5-7(2)10(16)17)9(15)4-8-6-18-11(12)13-8/h6-7H,3-5H2,1-2H3,(H2,12,13)(H,16,17)
InChIKeySPVKIDRLEPICBI-UHFFFAOYSA-N
MW271.34 g/mol
LogP0.84
Rot. Bonds6

About 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid

3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid (PubChem CID 62852454) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
PubChem CID62852454
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)C(=O)Cc1csc(N)n1
InChIInChI=1S/C11H17N3O3S/c1-3-14(5-7(2)10(16)17)9(15)4-8-6-18-11(12)13-8/h6-7H,3-5H2,1-2H3,(H2,12,13)(H,16,17)
InChIKeySPVKIDRLEPICBI-UHFFFAOYSA-N
XLogP0.84
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic 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

3-[ethyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]-2-methylpropanoic acid
CID 55123103
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 62800141
2-(2-amino-1,3-thiazol-4-yl)-N-ethyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 62798203
N,N-bis(2-amino-2-oxoethyl)-2-(2-amino-1,3-thiazol-4-yl)acetamide
CID 62921565
3-[ethyl-(2-pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 55123242
2-(2-amino-1,3-thiazol-4-yl)-N-butan-2-yl-N-(methylideneamino)acetamide
CID 123963267
2-(2-amino-1,3-thiazol-4-yl)-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
CID 62798753
2-methyl-3-[methyl-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 55008249
3-[ethyl-[2-(6-methylimidazo[2,1-b][1,3]thiazol-3-yl)acetyl]amino]-2-methylpropanoic acid
CID 62825798
2-(2-amino-1,3-thiazol-4-yl)-N-cyclohexyl-N-ethylacetamide
CID 62797286
(2R)-2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]pentanoic acid
CID 107564975
3-[ethyl-(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]-2-methylpropanoic acid
CID 62825599

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid (CID 62852454) is 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)C(=O)Cc1csc(N)n1.
What is the InChIKey of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
The InChIKey is SPVKIDRLEPICBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-3-14(5-7(2)10(16)17)9(15)4-8-6-18-11(12)13-8/h6-7H,3-5H2,1-2H3,(H2,12,13)(H,16,17).
What are the key properties of 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid?
3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid has a molecular weight of 271.34 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]-ethylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62852454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).