3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid

C14H22N2O4S — CID 43171222

IUPAC3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
SMILESCCC(C)C(NC(=O)CCCn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-4-9(2)12(13(18)19)15-11(17)6-5-7-16-10(3)8-21-14(16)20/h8-9,12H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyURJMJEFIXWNWIF-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.61
Rot. Bonds8

About 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid

3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid (PubChem CID 43171222) has the molecular formula C14H22N2O4S and a molecular weight of 314.41 g/mol. Its IUPAC name is 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
PubChem CID43171222
Molecular FormulaC14H22N2O4S
Molecular Weight314.41 g/mol
Exact Mass314.13
IUPAC Name3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
SMILESCCC(C)C(NC(=O)CCCn1c(C)csc1=O)C(=O)O
InChIInChI=1S/C14H22N2O4S/c1-4-9(2)12(13(18)19)15-11(17)6-5-7-16-10(3)8-21-14(16)20/h8-9,12H,4-7H2,1-3H3,(H,15,17)(H,18,19)
InChIKeyURJMJEFIXWNWIF-UHFFFAOYSA-N
XLogP1.61
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic 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 (2S,3R)-3-methyl-2-[[2-[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]oxyacetyl]amino]pentanoate
CID 8472108
methyl (2R)-4-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]pentanoate
CID 32044513
methyl (2S)-4-methyl-2-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoylamino]pentanoate
CID 32044515
4-Methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]pentanoic acid
CID 43170166
5-Amino-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]-5-oxopentanoic acid
CID 43171960
1-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]cyclopentane-1-carboxylic acid
CID 43351049
4-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid
CID 43353316
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]-4-methylsulfanylbutanoic acid
CID 43353475
3-Methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]butanoic acid
CID 43354048
3-Methyl-2-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]butanoic acid
CID 43354053
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]acetic acid
CID 43354497
2-[4-(4-Methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]propanoic acid
CID 43355363

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid?
The IUPAC name of 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid (CID 43171222) is 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid is CCC(C)C(NC(=O)CCCn1c(C)csc1=O)C(=O)O.
What is the InChIKey of 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid?
The InChIKey is URJMJEFIXWNWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4S/c1-4-9(2)12(13(18)19)15-11(17)6-5-7-16-10(3)8-21-14(16)20/h8-9,12H,4-7H2,1-3H3,(H,15,17)(H,18,19).
What are the key properties of 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid?
3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid has a molecular weight of 314.41 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(4-methyl-2-oxo-1,3-thiazol-3-yl)butanoylamino]pentanoic acid is sourced from PubChem (CID 43171222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).