1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid

C13H23N3O3 — CID 115433571

IUPAC1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CN1CCNCC1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O3/c17-11(9-16-7-5-14-6-8-16)15-10-13(12(18)19)3-1-2-4-13/h14H,1-10H2,(H,15,17)(H,18,19)
InChIKeyYTAFAGVDOZVMJE-UHFFFAOYSA-N
MW269.34 g/mol
LogP-0.35
Rot. Bonds5

About 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid

1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 115433571) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID115433571
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESO=C(CN1CCNCC1)NCC1(C(=O)O)CCCC1
InChIInChI=1S/C13H23N3O3/c17-11(9-16-7-5-14-6-8-16)15-10-13(12(18)19)3-1-2-4-13/h14H,1-10H2,(H,15,17)(H,18,19)
InChIKeyYTAFAGVDOZVMJE-UHFFFAOYSA-N
XLogP-0.35
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[1-[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl]piperidin-4-yl]propanoic acid
CID 62217359
1-[[[2-(2,2,2-Trifluoroethylamino)acetyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 115433624
1-(Cyclopentanecarbonyl)piperazine-2-carboxylic acid
CID 65629573
3-Methyl-6-oxo-6-piperazin-1-ylhexanoic acid
CID 66772382
1-[(Hexanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362276
1-[(Butanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81362366
1-[[4-(Aminomethyl)piperidin-1-yl]methyl]cyclopentane-1-carboxylic acid
CID 86602119
3-[[2-(3-Ethyl-3-methyl-2,6-dioxopiperidin-1-yl)acetyl]amino]propanoic acid
CID 146294363
3-(3,3-Dimethylbutyl)piperazine-1,3-dicarboxylic acid
CID 156732280
Cyclopentanecarboxylic acid;cyclopentyl(piperazin-1-yl)methanone
CID 159568755
1,2-Dibutyl-6-oxopiperazine-2-carboxylic acid
CID 174750732
1-[2-Oxo-2-(3-oxopiperazin-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 43385421

Frequently Asked Questions

What is the IUPAC name of 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 115433571) is 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid is O=C(CN1CCNCC1)NCC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YTAFAGVDOZVMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c17-11(9-16-7-5-14-6-8-16)15-10-13(12(18)19)3-1-2-4-13/h14H,1-10H2,(H,15,17)(H,18,19).
What are the key properties of 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid?
1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 269.34 g/mol, XLogP of -0.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2-piperazin-1-ylacetyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115433571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).