2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid

C13H23N3O3 — CID 55058170

IUPAC2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(11(17)18)15-6-8-16(9-7-15)12(19)13(14)4-2-3-5-13/h10H,2-9,14H2,1H3,(H,17,18)
InChIKeyWSJWIJJEJCWQDN-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.12
Rot. Bonds3

About 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid

2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid (PubChem CID 55058170) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid
PubChem CID55058170
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)C2(N)CCCC2)CC1
InChIInChI=1S/C13H23N3O3/c1-10(11(17)18)15-6-8-16(9-7-15)12(19)13(14)4-2-3-5-13/h10H,2-9,14H2,1H3,(H,17,18)
InChIKeyWSJWIJJEJCWQDN-UHFFFAOYSA-N
XLogP-0.12
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid (CID 55058170) is 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)C2(N)CCCC2)CC1.
What is the InChIKey of 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid?
The InChIKey is WSJWIJJEJCWQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-10(11(17)18)15-6-8-16(9-7-15)12(19)13(14)4-2-3-5-13/h10H,2-9,14H2,1H3,(H,17,18).
What are the key properties of 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid?
2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid has a molecular weight of 269.34 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-aminocyclopentanecarbonyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 55058170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).