3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid

C9H13N3O3 — CID 60840214

IUPAC3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ncon1)C1CC1
InChIInChI=1S/C9H13N3O3/c13-9(14)3-4-12(7-1-2-7)5-8-10-6-15-11-8/h6-7H,1-5H2,(H,13,14)
InChIKeyZRCVKKDHZBNGKB-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.51
Rot. Bonds6

About 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid

3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (PubChem CID 60840214) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
PubChem CID60840214
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid
SMILESO=C(O)CCN(Cc1ncon1)C1CC1
InChIInChI=1S/C9H13N3O3/c13-9(14)3-4-12(7-1-2-7)5-8-10-6-15-11-8/h6-7H,1-5H2,(H,13,14)
InChIKeyZRCVKKDHZBNGKB-UHFFFAOYSA-N
XLogP0.51
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid (CID 60840214) is 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid is O=C(O)CCN(Cc1ncon1)C1CC1.
What is the InChIKey of 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
The InChIKey is ZRCVKKDHZBNGKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c13-9(14)3-4-12(7-1-2-7)5-8-10-6-15-11-8/h6-7H,1-5H2,(H,13,14).
What are the key properties of 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid?
3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(1,2,4-oxadiazol-3-ylmethyl)amino]propanoic acid is sourced from PubChem (CID 60840214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).