2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid

C14H23N3O4 — CID 119206094

IUPAC2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C14H23N3O4/c1-5-17(9-12(19)20)11(18)8-6-7-10-15-13(16-21-10)14(2,3)4/h5-9H2,1-4H3,(H,19,20)
InChIKeyKBVYZKCZWLFKAN-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.62
Rot. Bonds7

About 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid

2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid (PubChem CID 119206094) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid.

Molecular Properties

Compound Name2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
PubChem CID119206094
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid
SMILESCCN(CC(=O)O)C(=O)CCCc1nc(C(C)(C)C)no1
InChIInChI=1S/C14H23N3O4/c1-5-17(9-12(19)20)11(18)8-6-7-10-15-13(16-21-10)14(2,3)4/h5-9H2,1-4H3,(H,19,20)
InChIKeyKBVYZKCZWLFKAN-UHFFFAOYSA-N
XLogP1.62
TPSA96.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl]amino]acetic acid
CID 119205867
5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)pentanoic acid
CID 43446819
4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-(cyanomethyl)-N-propylbutanamide
CID 60560481
2-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl]piperazin-1-yl]-N,N-diethylacetamide
CID 55668049
N,N-diethyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982229
2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192768
2-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442635
2-[ethyl-[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]acetic acid
CID 119205870
methyl 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-[(3-fluorophenyl)methyl]amino]acetate
CID 47072634
2-[4-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butanoyl-(2-methylpropyl)amino]acetic acid
CID 119192796
3-[4-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoylamino]phenyl]propanoic acid
CID 119252322
N-[1-(2-bromophenyl)ethyl]-4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-propylbutanamide
CID 55881199

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid?
The IUPAC name of 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid (CID 119206094) is 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid.
What is the SMILES notation for 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid?
The canonical SMILES for 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid is CCN(CC(=O)O)C(=O)CCCc1nc(C(C)(C)C)no1.
What is the InChIKey of 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid?
The InChIKey is KBVYZKCZWLFKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-5-17(9-12(19)20)11(18)8-6-7-10-15-13(16-21-10)14(2,3)4/h5-9H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid?
2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid has a molecular weight of 297.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoyl-ethylamino]acetic acid is sourced from PubChem (CID 119206094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).