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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
methyl 2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-cyclopentylamino]acetate
CID 80711845
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-[(2S)-oxolan-2-yl]-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 94819408
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705553
2-[1-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-4-yl]acetic acid
CID 79608202
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[(2S)-oxolan-2-yl]methanamine
CID 127923306
2-[cyclopropylmethyl-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]amino]acetic acid
CID 66189953
2-[cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 43656577
N-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 106636894
3-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoic acid
CID 55007298
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-ethylamino]oxolane-3-carboxylic acid
CID 66247880
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819

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).