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

C11H19N3O3 — CID 55124057

IUPAC3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid
SMILESCCc1nc(CN(CC)C(C)CC(=O)O)no1
InChIInChI=1S/C11H19N3O3/c1-4-10-12-9(13-17-10)7-14(5-2)8(3)6-11(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyXBDOQQJSNAWXHQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.32
Rot. Bonds7

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

3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid (PubChem CID 55124057) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid
PubChem CID55124057
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid
SMILESCCc1nc(CN(CC)C(C)CC(=O)O)no1
InChIInChI=1S/C11H19N3O3/c1-4-10-12-9(13-17-10)7-14(5-2)8(3)6-11(15)16/h8H,4-7H2,1-3H3,(H,15,16)
InChIKeyXBDOQQJSNAWXHQ-UHFFFAOYSA-N
XLogP1.32
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-Ethyl-1,2,4-oxadiazol-3-yl)acetic acid
CID 21312967
tert-butyl-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 66661395
Tert-butyl-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 68902152
Tert-butyl-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamic acid
CID 68903489
Cyclopropyl-[1-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]carbamic acid
CID 71087370
3-[3-[2-(Diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]propanoic acid
CID 29078260
4-[Methyl-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid
CID 43172420
4-[Methyl-[3-(3-propyl-1,2,4-oxadiazol-5-yl)propanoyl]amino]butanoic acid
CID 43359928
2-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]acetic acid
CID 43442610
2-[Methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]acetic acid
CID 43442663
3-[[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]methylamino]propanoic acid
CID 43466243
3-[(5-Tert-butyl-1,2,4-oxadiazol-3-yl)methylamino]propanoic acid
CID 43466309

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid (CID 55124057) is 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid is CCc1nc(CN(CC)C(C)CC(=O)O)no1.
What is the InChIKey of 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid?
The InChIKey is XBDOQQJSNAWXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-10-12-9(13-17-10)7-14(5-2)8(3)6-11(15)16/h8H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid?
3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid has a molecular weight of 241.29 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]amino]butanoic acid is sourced from PubChem (CID 55124057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).