2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid

C11H19N3O3 — CID 122060559

IUPAC2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
SMILESCCCC(Nc1noc(C(C)(C)C)n1)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-5-6-7(8(15)16)12-10-13-9(17-14-10)11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyQRVYQCOCQMOCCM-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.03
Rot. Bonds5

About 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid

2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid (PubChem CID 122060559) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
PubChem CID122060559
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
SMILESCCCC(Nc1noc(C(C)(C)C)n1)C(=O)O
InChIInChI=1S/C11H19N3O3/c1-5-6-7(8(15)16)12-10-13-9(17-14-10)11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14)(H,15,16)
InChIKeyQRVYQCOCQMOCCM-UHFFFAOYSA-N
XLogP2.03
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid
CID 122062788
2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]hexanoic acid
CID 122060414
2-[(5-fluoropyrimidin-2-yl)amino]pentanoic acid
CID 104605858
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]pentanoic acid
CID 122060521
(2S)-2-[(4-tert-butylpyrimidin-2-yl)amino]hexanoic acid
CID 122062726
(2S)-4-methyl-2-[(5-phenyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid
CID 122050104
(2S)-2-anilinopentanoic acid
CID 22847649
2-[[4-(methylamino)quinazolin-2-yl]amino]pentanoic acid
CID 122060479
2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid
CID 135088959
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
(2R)-2-(methylamino)pentanoic acid
CID 15677248
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-ethylbutanamide
CID 110294284

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid?
The IUPAC name of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid (CID 122060559) is 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid is CCCC(Nc1noc(C(C)(C)C)n1)C(=O)O.
What is the InChIKey of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid?
The InChIKey is QRVYQCOCQMOCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-5-6-7(8(15)16)12-10-13-9(17-14-10)11(2,3)4/h7H,5-6H2,1-4H3,(H,12,14)(H,15,16).
What are the key properties of 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid?
2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid has a molecular weight of 241.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)amino]pentanoic acid is sourced from PubChem (CID 122060559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).