2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid

C13H23N3O3 — CID 65265449

IUPAC2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid
SMILESCC(C)c1noc(CNC(C)(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H23N3O3/c1-8(2)10-15-9(19-16-10)7-14-13(5,6)12(3,4)11(17)18/h8,14H,7H2,1-6H3,(H,17,18)
InChIKeyQNDHIKKBKAQIOC-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.17
Rot. Bonds6

About 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid

2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid (PubChem CID 65265449) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid
PubChem CID65265449
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid
SMILESCC(C)c1noc(CNC(C)(C)C(C)(C)C(=O)O)n1
InChIInChI=1S/C13H23N3O3/c1-8(2)10-15-9(19-16-10)7-14-13(5,6)12(3,4)11(17)18/h8,14H,7H2,1-6H3,(H,17,18)
InChIKeyQNDHIKKBKAQIOC-UHFFFAOYSA-N
XLogP2.17
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid with MolForge

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Related Compounds

(2S)-2-amino-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylsulfanyl]propanoic acid
CID 107773392
3-[methyl-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 60987942
2-phenyl-2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]acetic acid
CID 62108837
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 25219499
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]azetidine-3-carboxamide
CID 91927829
N-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 60720301
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]acetic acid
CID 61312303
N-[2-fluoro-5-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]acetamide
CID 47063703
(2R)-2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]propanoic acid
CID 119244349
2-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanoylamino]acetic acid
CID 119136385
5-(4,4-dimethylpentyl)-3-propan-2-yl-1,2,4-oxadiazole
CID 129255475
tert-butyl N-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]carbamate
CID 70964240

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid?
The IUPAC name of 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid (CID 65265449) is 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid?
The canonical SMILES for 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid is CC(C)c1noc(CNC(C)(C)C(C)(C)C(=O)O)n1.
What is the InChIKey of 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid?
The InChIKey is QNDHIKKBKAQIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-8(2)10-15-9(19-16-10)7-14-13(5,6)12(3,4)11(17)18/h8,14H,7H2,1-6H3,(H,17,18).
What are the key properties of 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid?
2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid has a molecular weight of 269.34 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methylamino]butanoic acid is sourced from PubChem (CID 65265449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).