2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid

C13H20N2O3S — CID 119133807

IUPAC2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid
SMILESCCC(NC(=O)CC(C)(C)C(=O)O)c1nc(C)cs1
InChIInChI=1S/C13H20N2O3S/c1-5-9(11-14-8(2)7-19-11)15-10(16)6-13(3,4)12(17)18/h7,9H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyFYMMXDPPQIBCTI-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.52
Rot. Bonds6

About 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid

2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid (PubChem CID 119133807) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid
PubChem CID119133807
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Name2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid
SMILESCCC(NC(=O)CC(C)(C)C(=O)O)c1nc(C)cs1
InChIInChI=1S/C13H20N2O3S/c1-5-9(11-14-8(2)7-19-11)15-10(16)6-13(3,4)12(17)18/h7,9H,5-6H2,1-4H3,(H,15,16)(H,17,18)
InChIKeyFYMMXDPPQIBCTI-UHFFFAOYSA-N
XLogP2.52
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic 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-hydroxy-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]-3-phenylbutanamide
CID 110025280
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide;dihydrochloride
CID 119879043
4-(methylamino)-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butanamide;dihydrochloride
CID 119879007
3,3-dimethyl-5-oxo-5-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propylamino]pentanoic acid
CID 119139751
4-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]benzene-1,4-dicarboxamide
CID 119121653
1-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide;dihydrochloride
CID 119878993
cis-(1S,3R)-2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065524
2,2-dimethyl-3-[1-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoylamino]propanoic acid
CID 113308289
(2S)-2-amino-4-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]pentanamide
CID 119879076
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-(4-methyl-1,3-thiazol-2-yl)propyl]cyclopropane-1-carboxamide
CID 95334068
N-[1-(4-methyl-1,3-thiazol-2-yl)propyl]butan-2-amine
CID 115717784
2-(4-methyl-1,3-thiazol-2-yl)butanoic acid
CID 66752054

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid?
The IUPAC name of 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid (CID 119133807) is 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid.
What is the SMILES notation for 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid?
The canonical SMILES for 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid is CCC(NC(=O)CC(C)(C)C(=O)O)c1nc(C)cs1.
What is the InChIKey of 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid?
The InChIKey is FYMMXDPPQIBCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-5-9(11-14-8(2)7-19-11)15-10(16)6-13(3,4)12(17)18/h7,9H,5-6H2,1-4H3,(H,15,16)(H,17,18).
What are the key properties of 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid?
2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid has a molecular weight of 284.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-4-[1-(4-methyl-1,3-thiazol-2-yl)propylamino]-4-oxobutanoic acid is sourced from PubChem (CID 119133807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).