3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid

C11H20N2O2 — CID 43560613

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC2CC2)CC1
InChIInChI=1S/C11H20N2O2/c14-11(15)3-4-12-5-7-13(8-6-12)9-10-1-2-10/h10H,1-9H2,(H,14,15)
InChIKeySWTSHEBEAMVVDI-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.49
Rot. Bonds5

About 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid

3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid (PubChem CID 43560613) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
PubChem CID43560613
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC2CC2)CC1
InChIInChI=1S/C11H20N2O2/c14-11(15)3-4-12-5-7-13(8-6-12)9-10-1-2-10/h10H,1-9H2,(H,14,15)
InChIKeySWTSHEBEAMVVDI-UHFFFAOYSA-N
XLogP0.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid (CID 43560613) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(CC2CC2)CC1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid?
The InChIKey is SWTSHEBEAMVVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c14-11(15)3-4-12-5-7-13(8-6-12)9-10-1-2-10/h10H,1-9H2,(H,14,15).
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid?
3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid has a molecular weight of 212.29 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43560613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).