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

C8H13N3O3 — CID 106414068

IUPAC2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
SMILESCc1noc(CCNC(C)C(=O)O)n1
InChIInChI=1S/C8H13N3O3/c1-5(8(12)13)9-4-3-7-10-6(2)11-14-7/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyISLJOXYRQZRULC-UHFFFAOYSA-N
MW199.21 g/mol
LogP-0.02
Rot. Bonds5

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

2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid (PubChem CID 106414068) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
PubChem CID106414068
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid
SMILESCc1noc(CCNC(C)C(=O)O)n1
InChIInChI=1S/C8H13N3O3/c1-5(8(12)13)9-4-3-7-10-6(2)11-14-7/h5,9H,3-4H2,1-2H3,(H,12,13)
InChIKeyISLJOXYRQZRULC-UHFFFAOYSA-N
XLogP-0.02
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 107269486
2-amino-3-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103796130
3-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 103810155
(2S)-4-methyl-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoylamino]pentanoic acid
CID 61154132
3-(ethylamino)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106416378
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]ethanol
CID 106416605
1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106416371
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]propanoic acid
CID 106420746
3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-2-phenylpropanoic acid
CID 106416924
propan-2-yl 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]acetate
CID 106416705
(2R,3S)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-phenylbutan-2-amine
CID 97065414
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
The IUPAC name of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid (CID 106414068) is 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid.
What is the SMILES notation for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
The canonical SMILES for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid is Cc1noc(CCNC(C)C(=O)O)n1.
What is the InChIKey of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
The InChIKey is ISLJOXYRQZRULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-5(8(12)13)9-4-3-7-10-6(2)11-14-7/h5,9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid?
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid has a molecular weight of 199.21 g/mol, XLogP of -0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]propanoic acid is sourced from PubChem (CID 106414068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).