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

C15H23N3O6S — CID 119358864

IUPAC2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)N(C)C(C)C(=O)O)CCCC1
InChIInChI=1S/C15H23N3O6S/c1-9-12(11(3)24-16-9)25(22,23)17-15(7-5-6-8-15)14(21)18(4)10(2)13(19)20/h10,17H,5-8H2,1-4H3,(H,19,20)
InChIKeyJRMDGRXOTGZPSW-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.81
Rot. Bonds6

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

2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid (PubChem CID 119358864) has the molecular formula C15H23N3O6S and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid
PubChem CID119358864
Molecular FormulaC15H23N3O6S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC Name2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid
SMILESCc1noc(C)c1S(=O)(=O)NC1(C(=O)N(C)C(C)C(=O)O)CCCC1
InChIInChI=1S/C15H23N3O6S/c1-9-12(11(3)24-16-9)25(22,23)17-15(7-5-6-8-15)14(21)18(4)10(2)13(19)20/h10,17H,5-8H2,1-4H3,(H,19,20)
InChIKeyJRMDGRXOTGZPSW-UHFFFAOYSA-N
XLogP0.81
TPSA129.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid with MolForge

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Related Compounds

3-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
CID 119220960
N-[(2S)-1-aminopropan-2-yl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxamide
CID 120505759
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
CID 119223574
ethyl 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentane-1-carboxylate
CID 47071939
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120651592
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide
CID 119505712
N-[1-(aminomethyl)cyclopentyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 119980726
N-(1-cyanocyclohexyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 60660895
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82762749
N-[1-(aminomethyl)cyclopentyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanamide
CID 119565976
(2R)-2-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]propanoylamino]propanoic acid
CID 119243729
N-[(2R)-1-hydroxypropan-2-yl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 79027700

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid (CID 119358864) is 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid is Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N(C)C(C)C(=O)O)CCCC1.
What is the InChIKey of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid?
The InChIKey is JRMDGRXOTGZPSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6S/c1-9-12(11(3)24-16-9)25(22,23)17-15(7-5-6-8-15)14(21)18(4)10(2)13(19)20/h10,17H,5-8H2,1-4H3,(H,19,20).
What are the key properties of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid?
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid has a molecular weight of 373.43 g/mol, XLogP of 0.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid is sourced from PubChem (CID 119358864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).