(2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid

C10H17NO5S — CID 24744938

IUPAC(2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H17NO5S/c1-6(2)5-7(8(12)13)11-9(14)10(3,4)17(11,15)16/h6-7H,5H2,1-4H3,(H,12,13)/t7-/m0/s1
InChIKeyBJZKQMQUGIXVCA-ZETCQYMHSA-N
MW263.31 g/mol
LogP0.44
Rot. Bonds4

About (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid

(2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid (PubChem CID 24744938) has the molecular formula C10H17NO5S and a molecular weight of 263.31 g/mol. Its IUPAC name is (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid
PubChem CID24744938
Molecular FormulaC10H17NO5S
Molecular Weight263.31 g/mol
Exact Mass263.08
IUPAC Name(2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N1C(=O)C(C)(C)S1(=O)=O
InChIInChI=1S/C10H17NO5S/c1-6(2)5-7(8(12)13)11-9(14)10(3,4)17(11,15)16/h6-7H,5H2,1-4H3,(H,12,13)/t7-/m0/s1
InChIKeyBJZKQMQUGIXVCA-ZETCQYMHSA-N
XLogP0.44
TPSA91.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic 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

(2S)-2-[butanoyl(sulfo)amino]-4-methylpentanoic acid
CID 138523567
(2R)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-3-methylbutanoic acid
CID 24744937
(2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-3-methylbutanoic acid
CID 24744942
(2R)-2-(4,4-diethyl-1,1,3-trioxothiazetidin-2-yl)-3-methylbutanoic acid
CID 24745096
2-(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)-3-methylpentanoic acid
CID 79873801
2-(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)-3,3-dimethylbutanoic acid
CID 79873805
2-Cyclopropyl-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)propanoic acid
CID 79874043
2-Cyclohexyl-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetic acid
CID 79874492
2-Cyclopropyl-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)acetic acid
CID 79874493
2-[(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)methyl]pentanoic acid
CID 79874925
2-(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)butanoic acid
CID 79875092
2-(4,4-Dimethyl-1,1,3-trioxothiazetidin-2-yl)hexanoic acid
CID 79875267

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid?
The IUPAC name of (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid (CID 24744938) is (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid.
What is the SMILES notation for (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid?
The canonical SMILES for (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid is CC(C)C[C@@H](C(=O)O)N1C(=O)C(C)(C)S1(=O)=O.
What is the InChIKey of (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid?
The InChIKey is BJZKQMQUGIXVCA-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H17NO5S/c1-6(2)5-7(8(12)13)11-9(14)10(3,4)17(11,15)16/h6-7H,5H2,1-4H3,(H,12,13)/t7-/m0/s1.
What are the key properties of (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid?
(2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid has a molecular weight of 263.31 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4,4-dimethyl-1,1,3-trioxothiazetidin-2-yl)-4-methylpentanoic acid is sourced from PubChem (CID 24744938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).