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

C7H9N3O3 — CID 84658883

IUPAC2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(NC2CC2)no1
InChIInChI=1S/C7H9N3O3/c11-6(12)3-5-9-7(10-13-5)8-4-1-2-4/h4H,1-3H2,(H,8,10)(H,11,12)
InChIKeyYAWWNCXQQGWCKM-UHFFFAOYSA-N
MW183.17 g/mol
LogP0.27
Rot. Bonds4

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

2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid (PubChem CID 84658883) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid
PubChem CID84658883
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid
SMILESO=C(O)Cc1nc(NC2CC2)no1
InChIInChI=1S/C7H9N3O3/c11-6(12)3-5-9-7(10-13-5)8-4-1-2-4/h4H,1-3H2,(H,8,10)(H,11,12)
InChIKeyYAWWNCXQQGWCKM-UHFFFAOYSA-N
XLogP0.27
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-Formamido-1,2,4-oxadiazol-5-yl)acetic acid
CID 142811350
2-(3-Amino-1,2,4-oxadiazol-5-yl)acetic acid
CID 55290039
2-[3-(Dimethylamino)-1,2,4-oxadiazol-5-yl]acetic acid
CID 116799732
2-[3-[Ethyl(methyl)amino]-1,2,4-oxadiazol-5-yl]acetic acid
CID 116808687

Frequently Asked Questions

What is the IUPAC name of 2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid?
The IUPAC name of 2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid (CID 84658883) is 2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid is O=C(O)Cc1nc(NC2CC2)no1.
What is the InChIKey of 2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid?
The InChIKey is YAWWNCXQQGWCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O3/c11-6(12)3-5-9-7(10-13-5)8-4-1-2-4/h4H,1-3H2,(H,8,10)(H,11,12).
What are the key properties of 2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid?
2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid has a molecular weight of 183.17 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(cyclopropylamino)-1,2,4-oxadiazol-5-yl]acetic acid is sourced from PubChem (CID 84658883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).