2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid

C8H9N3O3 — CID 79283098

IUPAC2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C8H9N3O3/c1-2-3-11(5-8(12)13)4-7-9-6-14-10-7/h1,6H,3-5H2,(H,12,13)
InChIKeyFZHFSDURDJYTOJ-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.41
Rot. Bonds5

About 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid

2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid (PubChem CID 79283098) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid
PubChem CID79283098
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid
SMILESC#CCN(CC(=O)O)Cc1ncon1
InChIInChI=1S/C8H9N3O3/c1-2-3-11(5-8(12)13)4-7-9-6-14-10-7/h1,6H,3-5H2,(H,12,13)
InChIKeyFZHFSDURDJYTOJ-UHFFFAOYSA-N
XLogP-0.41
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[1,2,4-Oxadiazol-3-ylmethyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258688
2-[Methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 43442236
2-(1,2,4-Oxadiazol-3-ylmethylamino)acetic acid
CID 43466222
2-[4-(1,2,4-Oxadiazol-3-ylmethyl)piperazin-1-yl]acetic acid
CID 43521948
2-[Cyclopropylmethyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 43656577
2-[4-(1,2,4-Oxadiazol-3-ylmethyl)piperazin-1-yl]propanoic acid
CID 55057689
Methyl 2-[(2-methoxy-2-oxoethyl)-(1,2,4-oxadiazol-3-ylmethyl)amino]acetate
CID 55153085
Methyl 2-[methyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetate
CID 60702394
2-[Butan-2-yl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 60833259
2-[Cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 60834186
2-[Cyclopentyl(1,2,4-oxadiazol-3-ylmethyl)amino]acetic acid
CID 60834603
2-[1,2,4-Oxadiazol-3-ylmethyl(propan-2-yl)amino]acetic acid
CID 60839968

Frequently Asked Questions

What is the IUPAC name of 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid?
The IUPAC name of 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid (CID 79283098) is 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid.
What is the SMILES notation for 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid?
The canonical SMILES for 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid is C#CCN(CC(=O)O)Cc1ncon1.
What is the InChIKey of 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid?
The InChIKey is FZHFSDURDJYTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-2-3-11(5-8(12)13)4-7-9-6-14-10-7/h1,6H,3-5H2,(H,12,13).
What are the key properties of 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid?
2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid has a molecular weight of 195.18 g/mol, XLogP of -0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,4-oxadiazol-3-ylmethyl(prop-2-ynyl)amino]acetic acid is sourced from PubChem (CID 79283098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).