5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid

C9H13N3O4 — CID 102606443

IUPAC5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1ncno1
InChIInChI=1S/C9H13N3O4/c13-7(2-1-3-9(14)15)10-5-4-8-11-6-12-16-8/h6H,1-5H2,(H,10,13)(H,14,15)
InChIKeyPJINEYNHTMMFDC-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.02
Rot. Bonds7

About 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid

5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid (PubChem CID 102606443) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
PubChem CID102606443
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NCCc1ncno1
InChIInChI=1S/C9H13N3O4/c13-7(2-1-3-9(14)15)10-5-4-8-11-6-12-16-8/h6H,1-5H2,(H,10,13)(H,14,15)
InChIKeyPJINEYNHTMMFDC-UHFFFAOYSA-N
XLogP-0.02
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 3-[4-(3-propyl-1,2,4-oxadiazol-5-yl)butanoylamino]propanoate
CID 60490781
4-(1,2,4-Oxadiazol-5-yl)butanoic acid
CID 82238039
5-[(5-Methyl-1,2,4-oxadiazol-3-yl)methylamino]-5-oxopentanoic acid
CID 103603966
5-[2-(5-Methyl-1,2,4-oxadiazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 103603976
4-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]pentanoic acid
CID 106394639
5-(1,2,4-Oxadiazol-3-ylmethylamino)-5-oxopentanoic acid
CID 106394640
2-[1-[2-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106394652
4-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-4-oxobutanoic acid
CID 106394657
2-[2-(1,2,4-Oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394661
6-[2-(1,2,4-Oxadiazol-5-yl)ethylamino]-6-oxohexanoic acid
CID 106394673
3-Methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid
CID 106394674
cis-(1S,2R)-2-[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 106394677

Frequently Asked Questions

What is the IUPAC name of 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
The IUPAC name of 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid (CID 102606443) is 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
The canonical SMILES for 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid is O=C(O)CCCC(=O)NCCc1ncno1.
What is the InChIKey of 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
The InChIKey is PJINEYNHTMMFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c13-7(2-1-3-9(14)15)10-5-4-8-11-6-12-16-8/h6H,1-5H2,(H,10,13)(H,14,15).
What are the key properties of 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid?
5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid has a molecular weight of 227.22 g/mol, XLogP of -0.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-5-oxopentanoic acid is sourced from PubChem (CID 102606443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).