2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid

C8H16N2O3 — CID 83817785

IUPAC2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid
SMILESCN1CCN(CC(=O)O)C(CO)C1
InChIInChI=1S/C8H16N2O3/c1-9-2-3-10(5-8(12)13)7(4-9)6-11/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyZFUPUWSZEODRLD-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.32
Rot. Bonds3

About 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid

2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid (PubChem CID 83817785) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid
PubChem CID83817785
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid
SMILESCN1CCN(CC(=O)O)C(CO)C1
InChIInChI=1S/C8H16N2O3/c1-9-2-3-10(5-8(12)13)7(4-9)6-11/h7,11H,2-6H2,1H3,(H,12,13)
InChIKeyZFUPUWSZEODRLD-UHFFFAOYSA-N
XLogP-1.32
TPSA64.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetic acid
CID 80505933
2-[3-(hydroxymethyl)thiomorpholin-4-yl]acetic acid
CID 130834958
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]propanoic acid
CID 83819489
2-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]acetic acid
CID 134574205
2-chloro-1-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]ethanone
CID 178160134
ethyl 2-[2-(aminomethyl)-4-methylpiperazin-1-yl]acetate
CID 80507351
[4-methyl-1-(pyrrolidin-3-ylmethyl)piperazin-2-yl]methanol
CID 83821345
2-[4,7,10-tris(carboxymethyl)-6-(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19936259
2-[4-(carboxymethyl)-5-[(4-isothiocyanatophenyl)methyl]-7-methyl-1,4,7-triazonan-1-yl]acetic acid
CID 90450910
[1-(1-amino-2-methylpropan-2-yl)-4-methylpiperazin-2-yl]methanol
CID 83819424
2-[2-(aminomethyl)-4-methylpiperazin-1-yl]-N-tert-butylacetamide
CID 80507212
(4-methyl-1-pyrrolidin-3-ylpiperazin-2-yl)methanol
CID 83819174

Frequently Asked Questions

What is the IUPAC name of 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid?
The IUPAC name of 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid (CID 83817785) is 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid?
The canonical SMILES for 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid is CN1CCN(CC(=O)O)C(CO)C1.
What is the InChIKey of 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid?
The InChIKey is ZFUPUWSZEODRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-9-2-3-10(5-8(12)13)7(4-9)6-11/h7,11H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid?
2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid has a molecular weight of 188.23 g/mol, XLogP of -1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(hydroxymethyl)-4-methylpiperazin-1-yl]acetic acid is sourced from PubChem (CID 83817785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).