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

C15H23N3O6S — CID 119223574

IUPAC2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
SMILESCCC(NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)O
InChIInChI=1S/C15H23N3O6S/c1-4-11(13(19)20)16-14(21)15(7-5-6-8-15)18-25(22,23)12-9(2)17-24-10(12)3/h11,18H,4-8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyDYOURXPHEOHNAJ-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.86
Rot. Bonds7

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

2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid (PubChem CID 119223574) 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]amino]butanoic acid.

Molecular Properties

Compound Name2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
PubChem CID119223574
Molecular FormulaC15H23N3O6S
Molecular Weight373.43 g/mol
Exact Mass373.13
IUPAC Name2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid
SMILESCCC(NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)O
InChIInChI=1S/C15H23N3O6S/c1-4-11(13(19)20)16-14(21)15(7-5-6-8-15)18-25(22,23)12-9(2)17-24-10(12)3/h11,18H,4-8H2,1-3H3,(H,16,21)(H,19,20)
InChIKeyDYOURXPHEOHNAJ-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 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid with MolForge

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Launch Full Analysis

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
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-[2-(ethylamino)ethyl]cyclopentane-1-carboxamide
CID 119505712
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2R)-2-(ethylamino)propyl]cyclopentane-1-carboxamide;hydrochloride
CID 120651592
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]-methylamino]propanoic acid
CID 119358864
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
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-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]ethyl]propanamide
CID 108574106
N-[1-(aminomethyl)-2-methylcyclohexyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide;hydrochloride
CID 120607149

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid?
The IUPAC name of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid (CID 119223574) is 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid.
What is the SMILES notation for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid?
The canonical SMILES for 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid is CCC(NC(=O)C1(NS(=O)(=O)c2c(C)noc2C)CCCC1)C(=O)O.
What is the InChIKey of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid?
The InChIKey is DYOURXPHEOHNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O6S/c1-4-11(13(19)20)16-14(21)15(7-5-6-8-15)18-25(22,23)12-9(2)17-24-10(12)3/h11,18H,4-8H2,1-3H3,(H,16,21)(H,19,20).
What are the key properties of 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid?
2-[[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 2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]cyclopentanecarbonyl]amino]butanoic acid is sourced from PubChem (CID 119223574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).