3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid

C10H16N2O5S2 — CID 60828173

IUPAC3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H16N2O5S2/c1-6(2)12(5-4-8(13)14)19(16,17)9-7(3)11-10(15)18-9/h6H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyMNHGYLMVTINZBE-UHFFFAOYSA-N
MW308.38 g/mol
LogP0.62
Rot. Bonds6

About 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid

3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid (PubChem CID 60828173) has the molecular formula C10H16N2O5S2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid.

Molecular Properties

Compound Name3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid
PubChem CID60828173
Molecular FormulaC10H16N2O5S2
Molecular Weight308.38 g/mol
Exact Mass308.05
IUPAC Name3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid
SMILESCc1[nH]c(=O)sc1S(=O)(=O)N(CCC(=O)O)C(C)C
InChIInChI=1S/C10H16N2O5S2/c1-6(2)12(5-4-8(13)14)19(16,17)9-7(3)11-10(15)18-9/h6H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyMNHGYLMVTINZBE-UHFFFAOYSA-N
XLogP0.62
TPSA107.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]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

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid?
The IUPAC name of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid (CID 60828173) is 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid.
What is the SMILES notation for 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid?
The canonical SMILES for 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid is Cc1[nH]c(=O)sc1S(=O)(=O)N(CCC(=O)O)C(C)C.
What is the InChIKey of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid?
The InChIKey is MNHGYLMVTINZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O5S2/c1-6(2)12(5-4-8(13)14)19(16,17)9-7(3)11-10(15)18-9/h6H,4-5H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid?
3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid has a molecular weight of 308.38 g/mol, XLogP of 0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methyl-2-oxo-3H-1,3-thiazol-5-yl)sulfonyl-propan-2-ylamino]propanoic acid is sourced from PubChem (CID 60828173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).