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

C13H21N3O3 — CID 43656436

IUPAC2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(C)c1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)12-14-10(19-15-12)7-16(8-11(17)18)6-9-4-5-9/h9H,4-8H2,1-3H3,(H,17,18)
InChIKeyJBKUYMCIJQLQAF-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.66
Rot. Bonds6

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

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43656436) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID43656436
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid
SMILESCC(C)(C)c1noc(CN(CC(=O)O)CC2CC2)n1
InChIInChI=1S/C13H21N3O3/c1-13(2,3)12-14-10(19-15-12)7-16(8-11(17)18)6-9-4-5-9/h9H,4-8H2,1-3H3,(H,17,18)
InChIKeyJBKUYMCIJQLQAF-UHFFFAOYSA-N
XLogP1.66
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 ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid (CID 43656436) is 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid is CC(C)(C)c1noc(CN(CC(=O)O)CC2CC2)n1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is JBKUYMCIJQLQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-13(2,3)12-14-10(19-15-12)7-16(8-11(17)18)6-9-4-5-9/h9H,4-8H2,1-3H3,(H,17,18).
What are the key properties of 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid?
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 267.33 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43656436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).