3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid

C11H17N3O5 — CID 66002123

IUPAC3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCc1noc(CCC(=O)NCC(C)(O)CC(=O)O)n1
InChIInChI=1S/C11H17N3O5/c1-7-13-9(19-14-7)4-3-8(15)12-6-11(2,18)5-10(16)17/h18H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyINTSTRAUWJWLAA-UHFFFAOYSA-N
MW271.27 g/mol
LogP-0.35
Rot. Bonds7

About 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid

3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (PubChem CID 66002123) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.

Molecular Properties

Compound Name3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
PubChem CID66002123
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
SMILESCc1noc(CCC(=O)NCC(C)(O)CC(=O)O)n1
InChIInChI=1S/C11H17N3O5/c1-7-13-9(19-14-7)4-3-8(15)12-6-11(2,18)5-10(16)17/h18H,3-6H2,1-2H3,(H,12,15)(H,16,17)
InChIKeyINTSTRAUWJWLAA-UHFFFAOYSA-N
XLogP-0.35
TPSA125.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid
CID 64672859
N-(2-hydroxy-2-methylpentyl)-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 103713290
N-(2-ethylbutyl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 113232050
3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103726364
3,3,3-trifluoro-2-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 79795813
4-[2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]ethyl]benzoic acid
CID 119168608
3-hydroxy-3-methyl-4-(3-phenylpropanoylamino)butanoic acid
CID 66001727
N-(4-hydroxy-2-methylbutan-2-yl)-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115869991
2-cyclopropyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 43360398
N-(2-amino-2-ethylbutyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 119643264
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)propanamide
CID 115362208
2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]methyl]pentanoic acid
CID 65218977

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The IUPAC name of 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid (CID 66002123) is 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid.
What is the SMILES notation for 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The canonical SMILES for 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is Cc1noc(CCC(=O)NCC(C)(O)CC(=O)O)n1.
What is the InChIKey of 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
The InChIKey is INTSTRAUWJWLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-7-13-9(19-14-7)4-3-8(15)12-6-11(2,18)5-10(16)17/h18H,3-6H2,1-2H3,(H,12,15)(H,16,17).
What are the key properties of 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid?
3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid has a molecular weight of 271.27 g/mol, XLogP of -0.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-methyl-4-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]butanoic acid is sourced from PubChem (CID 66002123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).