(3S)-3-(hydroxymethyl)piperazine-2,5-dione

C5H8N2O3 — CID 7408485

IUPAC(3S)-3-(hydroxymethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](CO)N1
InChIInChI=1S/C5H8N2O3/c8-2-3-5(10)6-1-4(9)7-3/h3,8H,1-2H2,(H,6,10)(H,7,9)/t3-/m0/s1
InChIKeyMOWMPSYJSYTSSM-VKHMYHEASA-N
MW144.13 g/mol
LogP-2.41
Rot. Bonds1

About (3S)-3-(hydroxymethyl)piperazine-2,5-dione

(3S)-3-(hydroxymethyl)piperazine-2,5-dione (PubChem CID 7408485) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)piperazine-2,5-dione
PubChem CID7408485
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(3S)-3-(hydroxymethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](CO)N1
InChIInChI=1S/C5H8N2O3/c8-2-3-5(10)6-1-4(9)7-3/h3,8H,1-2H2,(H,6,10)(H,7,9)/t3-/m0/s1
InChIKeyMOWMPSYJSYTSSM-VKHMYHEASA-N
XLogP-2.41
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-2.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Serylglycine
CID 7009644
Seryl-alanine
CID 7009579
2-[[(2S)-2-azaniumyl-3-hydroxypropanoyl]amino]acetate
CID 7009643
L-seryl-L-serine
CID 7019105
3,6-Bis(hydroxymethyl)-2,5-piperazinedione
CID 138542
3,6-Bis(aminooxymethyl)piperazine-2,5-dione
CID 84037
Glycine, N-L-seryl-
CID 136488
2-amino-3-hydroxy-N-methylpropanamide
CID 12658399
(2S)-2-acetamido-3-hydroxy-N-methylpropanamide
CID 14756234
N-(2-Amino-1,3-dihydroxypropylidene)serine
CID 138784
Glycyl-seryl-alanine
CID 5464481
Glycine, L-serylglycyl-
CID 7020153

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)piperazine-2,5-dione?
The IUPAC name of (3S)-3-(hydroxymethyl)piperazine-2,5-dione (CID 7408485) is (3S)-3-(hydroxymethyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-(hydroxymethyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-3-(hydroxymethyl)piperazine-2,5-dione is O=C1CNC(=O)[C@H](CO)N1.
What is the InChIKey of (3S)-3-(hydroxymethyl)piperazine-2,5-dione?
The InChIKey is MOWMPSYJSYTSSM-VKHMYHEASA-N. The full InChI is InChI=1S/C5H8N2O3/c8-2-3-5(10)6-1-4(9)7-3/h3,8H,1-2H2,(H,6,10)(H,7,9)/t3-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)piperazine-2,5-dione?
(3S)-3-(hydroxymethyl)piperazine-2,5-dione has a molecular weight of 144.13 g/mol, XLogP of -2.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)piperazine-2,5-dione is sourced from PubChem (CID 7408485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).