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

C13H21N3O3 — CID 61495057

IUPAC3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)Cc1noc(C2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)16(7-6-11(17)18)8-10-14-12(19-15-10)9-4-5-9/h9H,4-8H2,1-3H3,(H,17,18)
InChIKeyLYEHBRDFKLYWOE-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.02
Rot. Bonds6

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

3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (PubChem CID 61495057) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
PubChem CID61495057
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
SMILESCC(C)(C)N(CCC(=O)O)Cc1noc(C2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)16(7-6-11(17)18)8-10-14-12(19-15-10)9-4-5-9/h9H,4-8H2,1-3H3,(H,17,18)
InChIKeyLYEHBRDFKLYWOE-UHFFFAOYSA-N
XLogP2.02
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The IUPAC name of 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid (CID 61495057) is 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid.
What is the SMILES notation for 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The canonical SMILES for 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is CC(C)(C)N(CCC(=O)O)Cc1noc(C2CC2)n1.
What is the InChIKey of 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
The InChIKey is LYEHBRDFKLYWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)16(7-6-11(17)18)8-10-14-12(19-15-10)9-4-5-9/h9H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid?
3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid is sourced from PubChem (CID 61495057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).