2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid

C9H14N4O3 — CID 106401951

IUPAC2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCCc2ncno2)CNC1
InChIInChI=1S/C9H14N4O3/c14-8(15)3-9(4-10-5-9)12-2-1-7-11-6-13-16-7/h6,10,12H,1-5H2,(H,14,15)
InChIKeyHIEXZAQMHRUYRA-UHFFFAOYSA-N
MW226.24 g/mol
LogP-0.98
Rot. Bonds6

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

2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid (PubChem CID 106401951) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
PubChem CID106401951
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC Name2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
SMILESO=C(O)CC1(NCCc2ncno2)CNC1
InChIInChI=1S/C9H14N4O3/c14-8(15)3-9(4-10-5-9)12-2-1-7-11-6-13-16-7/h6,10,12H,1-5H2,(H,14,15)
InChIKeyHIEXZAQMHRUYRA-UHFFFAOYSA-N
XLogP-0.98
TPSA100.28 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid
CID 106419710
2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 106394652
2-[1-[2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-2-oxoethyl]cyclohexyl]acetic acid
CID 106394668
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-oxopropanoic acid
CID 104889379
3-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrrolidine-3-carboxamide
CID 114183577
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-4-propylpiperidine-4-carboxamide
CID 106397484
2-[3-[2-(dimethylamino)ethylamino]azetidin-3-yl]acetic acid
CID 107142240
2-(1-aminocyclobutyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106397532
1-methyl-3-[2-(1,2,4-oxadiazol-5-yl)ethyl]urea
CID 103743952
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]morpholine-3-carboxamide
CID 106397412
2-[3-(2-imidazol-1-ylethylamino)azetidin-3-yl]acetic acid
CID 107142583
2-[3-[[3-(dimethylamino)-3-oxopropyl]amino]azetidin-3-yl]acetic acid
CID 107142498

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid?
The IUPAC name of 2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid (CID 106401951) is 2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid?
The canonical SMILES for 2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid is O=C(O)CC1(NCCc2ncno2)CNC1.
What is the InChIKey of 2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid?
The InChIKey is HIEXZAQMHRUYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-8(15)3-9(4-10-5-9)12-2-1-7-11-6-13-16-7/h6,10,12H,1-5H2,(H,14,15).
What are the key properties of 2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid?
2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid has a molecular weight of 226.24 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]azetidin-3-yl]acetic acid is sourced from PubChem (CID 106401951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).