3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid

C11H17N3O3S — CID 62788263

IUPAC3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)c1csc(N)n1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)14(5-4-8(15)16)9(17)7-6-18-10(12)13-7/h6H,4-5H2,1-3H3,(H2,12,13)(H,15,16)
InChIKeyKIPKOJLAHDMWGZ-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.44
Rot. Bonds4

About 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid

3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid (PubChem CID 62788263) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid
PubChem CID62788263
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)C(=O)c1csc(N)n1
InChIInChI=1S/C11H17N3O3S/c1-11(2,3)14(5-4-8(15)16)9(17)7-6-18-10(12)13-7/h6H,4-5H2,1-3H3,(H2,12,13)(H,15,16)
InChIKeyKIPKOJLAHDMWGZ-UHFFFAOYSA-N
XLogP1.44
TPSA96.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-amino-1,3-thiazole-4-carbonyl)-ethylamino]propanoic acid
CID 62788466
3-[tert-butyl(pyrazine-2-carbonyl)amino]propanoic acid
CID 54926288
2-amino-N-ethyl-N-propyl-1,3-thiazole-4-carboxamide
CID 62788191
3-[(2-amino-1,3-thiazole-4-carbonyl)amino]-2,2-dimethylpropanoic acid
CID 115427982
2-amino-N,N-dipentyl-1,3-thiazole-4-carboxamide
CID 62788074
2-amino-N-[3-(dimethylamino)propyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 63692953
1-(2-amino-1,3-thiazol-4-yl)-2-(dimethylamino)ethanone;hydrobromide
CID 170895769
2-amino-N-(1-amino-2-methyl-1-oxopropan-2-yl)-1,3-thiazole-4-carboxamide
CID 62788446
3-[(4-amino-1,2,5-oxadiazole-3-carbonyl)-tert-butylamino]propanoic acid
CID 62685999
2-amino-N-methyl-N-pentan-3-yl-1,3-thiazole-4-carboxamide
CID 62789071
2-amino-N-[2-oxo-2-(propylamino)ethyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 62787721
2-amino-N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 102861928

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid?
The IUPAC name of 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid (CID 62788263) is 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid?
The canonical SMILES for 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid is CC(C)(C)N(CCC(=O)O)C(=O)c1csc(N)n1.
What is the InChIKey of 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid?
The InChIKey is KIPKOJLAHDMWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-11(2,3)14(5-4-8(15)16)9(17)7-6-18-10(12)13-7/h6H,4-5H2,1-3H3,(H2,12,13)(H,15,16).
What are the key properties of 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid?
3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-1,3-thiazole-4-carbonyl)-tert-butylamino]propanoic acid is sourced from PubChem (CID 62788263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).