3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid

C15H23N3O6S — CID 119220960

IUPAC3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)NC(C)CC(=O)O)CCCC1
InChIInChI=1S/C15H23N3O6S/c1-9(8-12(19)20)16-14(21)15(6-4-5-7-15)18-25(22,23)13-10(2)17-24-11(13)3/h9,18H,4-8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyBMOGXCVZSRTVQG-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.86
Rot. Bonds7

About 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid

3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid (PubChem CID 119220960) has the molecular formula C15H23N3O6S and a molecular weight of 373.43 g/mol. Its IUPAC name is 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
PubChem CID119220960
Molecular FormulaC15H23N3O6S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC Name3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)NC(C)CC(=O)O)CCCC1
InChIInChI=1S/C15H23N3O6S/c1-9(8-12(19)20)16-14(21)15(6-4-5-7-15)18-25(22,23)13-10(2)17-24-11(13)3/h9,18H,4-8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyBMOGXCVZSRTVQG-UHFFFAOYSA-N
XLogP0.86
TPSA138.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic 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-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid?
The IUPAC name of 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid (CID 119220960) is 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid?
The canonical SMILES for 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid is Cc1noc(C)c1S(=O)(=O)NC1(C(=O)NC(C)CC(=O)O)CCCC1.
What is the InChIKey of 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid?
The InChIKey is BMOGXCVZSRTVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6S/c1-9(8-12(19)20)16-14(21)15(6-4-5-7-15)18-25(22,23)13-10(2)17-24-11(13)3/h9,18H,4-8H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid?
3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid has a molecular weight of 373.43 g/mol, XLogP of 0.86, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 119220960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).