2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid

C13H23N3O3 — CID 62820805

IUPAC2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1noc(CC(C)C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-6-16(13(4,5)12(17)18)8-10-14-11(19-15-10)7-9(2)3/h9H,6-8H2,1-5H3,(H,17,18)
InChIKeySDGNPOQUIIBGEC-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.95
Rot. Bonds7

About 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid

2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid (PubChem CID 62820805) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid
PubChem CID62820805
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid
SMILESCCN(Cc1noc(CC(C)C)n1)C(C)(C)C(=O)O
InChIInChI=1S/C13H23N3O3/c1-6-16(13(4,5)12(17)18)8-10-14-11(19-15-10)7-9(2)3/h9H,6-8H2,1-5H3,(H,17,18)
InChIKeySDGNPOQUIIBGEC-UHFFFAOYSA-N
XLogP1.95
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid (CID 62820805) is 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid is CCN(Cc1noc(CC(C)C)n1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid?
The InChIKey is SDGNPOQUIIBGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-6-16(13(4,5)12(17)18)8-10-14-11(19-15-10)7-9(2)3/h9H,6-8H2,1-5H3,(H,17,18).
What are the key properties of 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid?
2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid has a molecular weight of 269.34 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62820805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).