3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid

C14H24N2O4 — CID 103555526

IUPAC3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid
SMILESCOC1(CC(=O)N2CCN(CCC(=O)O)CC2)CCC1
InChIInChI=1S/C14H24N2O4/c1-20-14(4-2-5-14)11-12(17)16-9-7-15(8-10-16)6-3-13(18)19/h2-11H2,1H3,(H,18,19)
InChIKeySQADXBCEPONOPU-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.56
Rot. Bonds6

About 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid

3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid (PubChem CID 103555526) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid
PubChem CID103555526
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid
SMILESCOC1(CC(=O)N2CCN(CCC(=O)O)CC2)CCC1
InChIInChI=1S/C14H24N2O4/c1-20-14(4-2-5-14)11-12(17)16-9-7-15(8-10-16)6-3-13(18)19/h2-11H2,1H3,(H,18,19)
InChIKeySQADXBCEPONOPU-UHFFFAOYSA-N
XLogP0.56
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid (CID 103555526) is 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid is COC1(CC(=O)N2CCN(CCC(=O)O)CC2)CCC1.
What is the InChIKey of 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid?
The InChIKey is SQADXBCEPONOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-20-14(4-2-5-14)11-12(17)16-9-7-15(8-10-16)6-3-13(18)19/h2-11H2,1H3,(H,18,19).
What are the key properties of 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid?
3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid has a molecular weight of 284.36 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-methoxycyclobutyl)acetyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 103555526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).