3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid

C11H17N3O3S — CID 106347387

IUPAC3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
SMILESCC(C)C(Nc1nc(CCC(=O)O)cs1)C(N)=O
InChIInChI=1S/C11H17N3O3S/c1-6(2)9(10(12)17)14-11-13-7(5-18-11)3-4-8(15)16/h5-6,9H,3-4H2,1-2H3,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyZRJOBGYTNHAUPY-UHFFFAOYSA-N
MW271.34 g/mol
LogP1.08
Rot. Bonds7

About 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid

3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid (PubChem CID 106347387) has the molecular formula C11H17N3O3S and a molecular weight of 271.34 g/mol. Its IUPAC name is 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
PubChem CID106347387
Molecular FormulaC11H17N3O3S
Molecular Weight271.34 g/mol
Exact Mass271.10
IUPAC Name3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
SMILESCC(C)C(Nc1nc(CCC(=O)O)cs1)C(N)=O
InChIInChI=1S/C11H17N3O3S/c1-6(2)9(10(12)17)14-11-13-7(5-18-11)3-4-8(15)16/h5-6,9H,3-4H2,1-2H3,(H2,12,17)(H,13,14)(H,15,16)
InChIKeyZRJOBGYTNHAUPY-UHFFFAOYSA-N
XLogP1.08
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]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

methyl 2-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]acetate
CID 106347390
3-[2-[(1-ethoxy-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486836
3-[2-[(4-amino-4-oxobutyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486432
methyl 3-[2-[(1-amino-1-oxopropan-2-yl)amino]-1,3-thiazol-4-yl]propanoate
CID 107040035
3-[2-[2-[di(propan-2-yl)amino]ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103485907
3-[2-(2-ethylbutylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488722
3-[2-[2-(carbamoylamino)ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103488416
3-[2-(octan-4-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 114137997
3-[2-[1-(3-bromophenyl)ethylamino]-1,3-thiazol-4-yl]propanoic acid
CID 103486624
4-(2-acetamido-1,3-thiazol-4-yl)butanoic acid
CID 80656385
2-[[2-(2-amino-1,3-thiazol-4-yl)acetyl]amino]-3-methylbutanamide
CID 106344945
3-[2-[3-(methanesulfonamido)propylamino]-1,3-thiazol-4-yl]propanoic acid
CID 106331954

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid?
The IUPAC name of 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid (CID 106347387) is 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid.
What is the SMILES notation for 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid?
The canonical SMILES for 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid is CC(C)C(Nc1nc(CCC(=O)O)cs1)C(N)=O.
What is the InChIKey of 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid?
The InChIKey is ZRJOBGYTNHAUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3S/c1-6(2)9(10(12)17)14-11-13-7(5-18-11)3-4-8(15)16/h5-6,9H,3-4H2,1-2H3,(H2,12,17)(H,13,14)(H,15,16).
What are the key properties of 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid?
3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid has a molecular weight of 271.34 g/mol, XLogP of 1.08, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1,3-thiazol-4-yl]propanoic acid is sourced from PubChem (CID 106347387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).