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

C10H15N3O3 — CID 62638502

IUPAC2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C10H15N3O3/c1-6(10(14)15)13(2)5-8-11-9(16-12-8)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyYSGARODJGQDZQI-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.85
Rot. Bonds5

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

2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid (PubChem CID 62638502) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
PubChem CID62638502
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)Cc1noc(C2CC2)n1
InChIInChI=1S/C10H15N3O3/c1-6(10(14)15)13(2)5-8-11-9(16-12-8)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,14,15)
InChIKeyYSGARODJGQDZQI-UHFFFAOYSA-N
XLogP0.85
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]butanoic acid
CID 55006231
2-[methyl-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]amino]propanoic acid
CID 62637246
(2S)-2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]propanoic acid
CID 104876160
(2R)-2-[(5-cyclopentyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 124844642
3-[tert-butyl-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]amino]propanoic acid
CID 61495057
5-cyclopropyl-3-[[methyl(propan-2-ylsulfamoyl)amino]methyl]-1,2,4-oxadiazole
CID 136548145
methyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62010684
N'-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-N'-methylethane-1,2-diamine
CID 62687751
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
ethyl 3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoate
CID 62013173
N-cyclopropyl-2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]propanamide
CID 71928488
(2S)-N-cyclopropyl-2-[(3R)-3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrrolidin-1-yl]propanamide
CID 100870289

Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid?
The IUPAC name of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid (CID 62638502) is 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid.
What is the SMILES notation for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid?
The canonical SMILES for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid is CC(C(=O)O)N(C)Cc1noc(C2CC2)n1.
What is the InChIKey of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid?
The InChIKey is YSGARODJGQDZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(10(14)15)13(2)5-8-11-9(16-12-8)7-3-4-7/h6-7H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid?
2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid has a molecular weight of 225.25 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]propanoic acid is sourced from PubChem (CID 62638502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).