3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid

C11H18N4O3 — CID 43522477

IUPAC3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid
SMILESCc1nnc(CN2CCN(CCC(=O)O)CC2)o1
InChIInChI=1S/C11H18N4O3/c1-9-12-13-10(18-9)8-15-6-4-14(5-7-15)3-2-11(16)17/h2-8H2,1H3,(H,16,17)
InChIKeyCEQDHANVWYQSKM-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.03
Rot. Bonds5

About 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid

3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid (PubChem CID 43522477) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid
PubChem CID43522477
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid
SMILESCc1nnc(CN2CCN(CCC(=O)O)CC2)o1
InChIInChI=1S/C11H18N4O3/c1-9-12-13-10(18-9)8-15-6-4-14(5-7-15)3-2-11(16)17/h2-8H2,1H3,(H,16,17)
InChIKeyCEQDHANVWYQSKM-UHFFFAOYSA-N
XLogP-0.03
TPSA82.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid (CID 43522477) is 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid is Cc1nnc(CN2CCN(CCC(=O)O)CC2)o1.
What is the InChIKey of 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
The InChIKey is CEQDHANVWYQSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-9-12-13-10(18-9)8-15-6-4-14(5-7-15)3-2-11(16)17/h2-8H2,1H3,(H,16,17).
What are the key properties of 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid?
3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid has a molecular weight of 254.29 g/mol, XLogP of -0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43522477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).