2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid

C14H23N3O3 — CID 43521715

IUPAC2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESCN(C(=O)CN1CCN(CC(=O)O)CC1)C1=CCCC1
InChIInChI=1S/C14H23N3O3/c1-15(12-4-2-3-5-12)13(18)10-16-6-8-17(9-7-16)11-14(19)20/h4H,2-3,5-11H2,1H3,(H,19,20)
InChIKeyPZZDXYGYYLTWAD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.21
Rot. Bonds5

About 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid

2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid (PubChem CID 43521715) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
PubChem CID43521715
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
SMILESCN(C(=O)CN1CCN(CC(=O)O)CC1)C1=CCCC1
InChIInChI=1S/C14H23N3O3/c1-15(12-4-2-3-5-12)13(18)10-16-6-8-17(9-7-16)11-14(19)20/h4H,2-3,5-11H2,1H3,(H,19,20)
InChIKeyPZZDXYGYYLTWAD-UHFFFAOYSA-N
XLogP0.21
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid (CID 43521715) is 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid is CN(C(=O)CN1CCN(CC(=O)O)CC1)C1=CCCC1.
What is the InChIKey of 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
The InChIKey is PZZDXYGYYLTWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-15(12-4-2-3-5-12)13(18)10-16-6-8-17(9-7-16)11-14(19)20/h4H,2-3,5-11H2,1H3,(H,19,20).
What are the key properties of 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid?
2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid has a molecular weight of 281.36 g/mol, XLogP of 0.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[cyclopenten-1-yl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).