2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid

C11H17N3O3 — CID 79276734

IUPAC2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1noc(CCC)n1
InChIInChI=1S/C11H17N3O3/c1-3-5-10-12-9(13-17-10)7-14(6-4-2)8-11(15)16/h4H,2-3,5-8H2,1H3,(H,15,16)
InChIKeyFAPFLIUIBBXXRW-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.09
Rot. Bonds8

About 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid

2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (PubChem CID 79276734) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
PubChem CID79276734
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid
SMILESC=CCN(CC(=O)O)Cc1noc(CCC)n1
InChIInChI=1S/C11H17N3O3/c1-3-5-10-12-9(13-17-10)7-14(6-4-2)8-11(15)16/h4H,2-3,5-8H2,1H3,(H,15,16)
InChIKeyFAPFLIUIBBXXRW-UHFFFAOYSA-N
XLogP1.09
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[prop-2-enyl-[(2-propyl-1,3-thiazol-4-yl)methyl]amino]acetic acid
CID 79275716
2-[butan-2-yl-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 60834394
2-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl-prop-2-enylamino]acetic acid
CID 79275814
2-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl-propylamino]acetic acid
CID 54899106
2-[prop-2-enyl-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]amino]acetic acid
CID 79277058
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]acetic acid
CID 43442230
4-[[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]methyl]benzoic acid
CID 61496101
2-[butyl(prop-2-enyl)amino]acetic acid
CID 79277573
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]-1-piperazin-1-ylethanone;hydrochloride
CID 119914992
2-[methyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]propan-1-ol
CID 115773273
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzylprop-2-en-1-amine;hydrochloride
CID 120751127
N,N-diethyl-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
CID 51076743

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The IUPAC name of 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid (CID 79276734) is 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid.
What is the SMILES notation for 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The canonical SMILES for 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is C=CCN(CC(=O)O)Cc1noc(CCC)n1.
What is the InChIKey of 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
The InChIKey is FAPFLIUIBBXXRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-5-10-12-9(13-17-10)7-14(6-4-2)8-11(15)16/h4H,2-3,5-8H2,1H3,(H,15,16).
What are the key properties of 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid?
2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid has a molecular weight of 239.27 g/mol, XLogP of 1.09, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-[(5-propyl-1,2,4-oxadiazol-3-yl)methyl]amino]acetic acid is sourced from PubChem (CID 79276734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).