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

C9H15N3O3 — CID 62637255

IUPAC2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
SMILESCCc1noc(CN(C)C(C)C(=O)O)n1
InChIInChI=1S/C9H15N3O3/c1-4-7-10-8(15-11-7)5-12(3)6(2)9(13)14/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyUENYPBHSEGWIIN-UHFFFAOYSA-N
MW213.24 g/mol
LogP0.54
Rot. Bonds5

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

2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid (PubChem CID 62637255) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
PubChem CID62637255
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
SMILESCCc1noc(CN(C)C(C)C(=O)O)n1
InChIInChI=1S/C9H15N3O3/c1-4-7-10-8(15-11-7)5-12(3)6(2)9(13)14/h6H,4-5H2,1-3H3,(H,13,14)
InChIKeyUENYPBHSEGWIIN-UHFFFAOYSA-N
XLogP0.54
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62637246
2-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid;hydrochloride
CID 119912606
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
2-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119913158
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methylamino]-3-methylbutanoic acid
CID 43468263
N,N-dimethyl-2-[methyl-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 91843160
methyl 3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-2-methylpropanoate
CID 60971190
2-[methyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]propanoic acid
CID 55096844
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
CID 62638502
1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-1-methyl-3-phenylurea
CID 51108291
2-[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]propanoic acid
CID 62637074
(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 95147928

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid (CID 62637255) is 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid is CCc1noc(CN(C)C(C)C(=O)O)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid?
The InChIKey is UENYPBHSEGWIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-4-7-10-8(15-11-7)5-12(3)6(2)9(13)14/h6H,4-5H2,1-3H3,(H,13,14).
What are the key properties of 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid?
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid has a molecular weight of 213.24 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 62637255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).