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

C10H17N3O3 — CID 79809805

IUPAC2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
SMILESCCC(CC)(NCc1noc(C)n1)C(=O)O
InChIInChI=1S/C10H17N3O3/c1-4-10(5-2,9(14)15)11-6-8-12-7(3)16-13-8/h11H,4-6H2,1-3H3,(H,14,15)
InChIKeyXQOKYBGUXADZQH-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.11
Rot. Bonds6

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

2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid (PubChem CID 79809805) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid.

Molecular Properties

Compound Name2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
PubChem CID79809805
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid
SMILESCCC(CC)(NCc1noc(C)n1)C(=O)O
InChIInChI=1S/C10H17N3O3/c1-4-10(5-2,9(14)15)11-6-8-12-7(3)16-13-8/h11H,4-6H2,1-3H3,(H,14,15)
InChIKeyXQOKYBGUXADZQH-UHFFFAOYSA-N
XLogP1.11
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanamide
CID 97226714
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2-oxopropanamide
CID 130667873
(E)-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]but-2-enoic acid
CID 106401708
2-methyl-2-(methylamino)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]propanamide
CID 106396588
2-amino-2-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pentanamide
CID 103811688
3,3,3-trifluoro-2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]propanoic acid
CID 106401625
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]ethyl carbamate
CID 107911873
5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pentanoic acid
CID 106401677
2-methyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]propanoic acid
CID 81230205
4-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfamoyl]benzoic acid
CID 106394862
2,2,3-trimethyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylcarbamoylamino]butanoic acid
CID 106420330
(2R)-2-amino-3,3-dimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butanamide
CID 106396531

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid?
The IUPAC name of 2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid (CID 79809805) is 2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid.
What is the SMILES notation for 2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid?
The canonical SMILES for 2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid is CCC(CC)(NCc1noc(C)n1)C(=O)O.
What is the InChIKey of 2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid?
The InChIKey is XQOKYBGUXADZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-4-10(5-2,9(14)15)11-6-8-12-7(3)16-13-8/h11H,4-6H2,1-3H3,(H,14,15).
What are the key properties of 2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid?
2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid has a molecular weight of 227.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]butanoic acid is sourced from PubChem (CID 79809805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).