2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid

C14H26N2O2 — CID 106664199

IUPAC2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid
SMILESCC1CC(C)(C)CC1N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-11-8-14(2,3)9-12(11)16-6-4-15(5-7-16)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyRPSWZQDYQIQWFH-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.51
Rot. Bonds3

About 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid

2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid (PubChem CID 106664199) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid
PubChem CID106664199
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid
SMILESCC1CC(C)(C)CC1N1CCN(CC(=O)O)CC1
InChIInChI=1S/C14H26N2O2/c1-11-8-14(2,3)9-12(11)16-6-4-15(5-7-16)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18)
InChIKeyRPSWZQDYQIQWFH-UHFFFAOYSA-N
XLogP1.51
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4,4-trimethylcyclopentyl)morpholin-2-yl]acetic acid
CID 106664270
2-[4-(3,3-dimethylcyclohexyl)-1,4-diazepan-1-yl]acetic acid
CID 65061888
3-methyl-1-(2,4,4-trimethylcyclopentyl)pyrrolidine-3-carboxylic acid
CID 106664242
copper 2-[4,7-bis(carboxymethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 6398176
2-[4-(3-methoxycyclobutyl)piperazin-1-yl]acetic acid
CID 106824270
2-(4-methylpiperidin-1-yl)acetic acid
CID 3153128
N,4-dimethyl-1-(2,4,4-trimethylcyclopentyl)piperidin-4-amine
CID 106663529
CID 157263533
CID 157263533
2-[4,7-bis(carboxymethyl)-10-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 56946868
1,7,7-trimethyltricyclo[2.2.1.02,6]heptane;2-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 90303007
2-[1,1-dioxo-4-(2,4,4-trimethylcyclopentyl)-1,4-thiazinan-3-yl]acetic acid
CID 106664282
2-[4-[(2,4,4-trimethylcyclopentyl)amino]piperidin-1-yl]acetamide
CID 106662205

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid (CID 106664199) is 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid is CC1CC(C)(C)CC1N1CCN(CC(=O)O)CC1.
What is the InChIKey of 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid?
The InChIKey is RPSWZQDYQIQWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-11-8-14(2,3)9-12(11)16-6-4-15(5-7-16)10-13(17)18/h11-12H,4-10H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid?
2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid has a molecular weight of 254.37 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,4-trimethylcyclopentyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 106664199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).