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

C14H25N3O3 — CID 64677360

IUPAC3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid
SMILESNC1(CC(=O)N2CCN(CCC(=O)O)CC2)CCCC1
InChIInChI=1S/C14H25N3O3/c15-14(4-1-2-5-14)11-12(18)17-9-7-16(8-10-17)6-3-13(19)20/h1-11,15H2,(H,19,20)
InChIKeyQPUHLKJTSUAQAK-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.27
Rot. Bonds5

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

3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid (PubChem CID 64677360) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid
PubChem CID64677360
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid
SMILESNC1(CC(=O)N2CCN(CCC(=O)O)CC2)CCCC1
InChIInChI=1S/C14H25N3O3/c15-14(4-1-2-5-14)11-12(18)17-9-7-16(8-10-17)6-3-13(19)20/h1-11,15H2,(H,19,20)
InChIKeyQPUHLKJTSUAQAK-UHFFFAOYSA-N
XLogP0.27
TPSA86.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminocyclobutyl)-1-[4-(3-methylbutyl)piperazin-1-yl]ethanone
CID 79854884
1-(4-acetylpiperazin-1-yl)-2-(1-aminocyclohexyl)ethanone
CID 64683862
1-(4-acetyl-1,4-diazepan-1-yl)-2-(1-aminocyclopentyl)ethanone
CID 64679240
2-(1-aminocyclohexyl)-1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 64685550
3-(4-but-3-enoylpiperazin-1-yl)propanoic acid
CID 62683475
2-(1-aminocyclobutyl)-1-(azepan-1-yl)ethanone
CID 79851408
2-(1-aminocyclobutyl)-1-(azocan-1-yl)ethanone;hydrochloride
CID 91659456
2-(1-aminocyclopentyl)-1-(1-oxo-1,4-thiazinan-4-yl)ethanone
CID 64677411
2-(1-aminocyclobutyl)-1-morpholin-4-ylethanone
CID 79851869
hydrazine;3-piperidin-1-ylpropanoic acid
CID 161275938
3-[4-[2-(dimethylamino)acetyl]piperazin-1-yl]propanoic acid;hydrochloride
CID 56802011
2-(1-aminocyclopentyl)-1-(1,1-dioxo-1,4-thiazepan-4-yl)ethanone
CID 114083427

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid (CID 64677360) is 3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid is NC1(CC(=O)N2CCN(CCC(=O)O)CC2)CCCC1.
What is the InChIKey of 3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid?
The InChIKey is QPUHLKJTSUAQAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c15-14(4-1-2-5-14)11-12(18)17-9-7-16(8-10-17)6-3-13(19)20/h1-11,15H2,(H,19,20).
What are the key properties of 3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid?
3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid has a molecular weight of 283.37 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(1-aminocyclopentyl)acetyl]piperazin-1-yl]propanoic acid is sourced from PubChem (CID 64677360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).