2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid

C11H22N2O2 — CID 166175465

IUPAC2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
SMILESCC(C)CN1CCN(CC(=O)O)[C@@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)6-12-4-5-13(8-11(14)15)10(3)7-12/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyZAEBQTHYKWEJOC-JTQLQIEISA-N
MW214.31 g/mol
LogP0.73
Rot. Bonds4

About 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid

2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid (PubChem CID 166175465) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
PubChem CID166175465
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid
SMILESCC(C)CN1CCN(CC(=O)O)[C@@H](C)C1
InChIInChI=1S/C11H22N2O2/c1-9(2)6-12-4-5-13(8-11(14)15)10(3)7-12/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyZAEBQTHYKWEJOC-JTQLQIEISA-N
XLogP0.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4,7,10-tris(carboxymethyl)-9-methyl-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 145309569
2-[7,10-bis(carboxymethyl)-6-methyl-4-(2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 164874677
ethane;2-[4,7,10-tris(carboxymethyl)-9-methyl-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid
CID 145309568
2-[4-(carboxymethyl)-5-methyl-7-(2-nitroso-2-oxoethyl)-1,4,7-triazonan-1-yl]acetic acid
CID 129146141
2-[4-(2-methylpropyl)piperazin-1-yl]acetic acid;dihydrochloride
CID 53420787
(2S)-1-[(3R)-4-[(2R)-2-hydroxypropyl]-3-methylpiperazin-1-yl]propan-2-ol
CID 124776706
2-[(3R)-3-methyl-4-(2-methylpropyl)piperazin-1-yl]ethanol
CID 166175492
2-[(3R)-4-(cyclobutylmethyl)-3-methylpiperazin-1-yl]acetic acid
CID 166175457
2-ethoxy-3-(4-ethyl-3-methylpiperazin-1-yl)propanoic acid
CID 63620539
2-[7,10-bis(carboxymethyl)-6-(2-methylpropyl)-4-(2-oxopropyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 157087549
2-(4-benzyl-2-methyl-1,4-diazepan-1-yl)acetic acid
CID 119137919
2-[(3R)-1-(2-methylpropyl)piperidin-3-yl]acetic acid
CID 86324356

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
The IUPAC name of 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid (CID 166175465) is 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid is CC(C)CN1CCN(CC(=O)O)[C@@H](C)C1.
What is the InChIKey of 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
The InChIKey is ZAEBQTHYKWEJOC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H22N2O2/c1-9(2)6-12-4-5-13(8-11(14)15)10(3)7-12/h9-10H,4-8H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid?
2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid has a molecular weight of 214.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-methyl-4-(2-methylpropyl)piperazin-1-yl]acetic acid is sourced from PubChem (CID 166175465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).