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

C6H10N2O3 — CID 16639267

IUPAC(3S)-3-(2-hydroxyethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](CCO)N1
InChIInChI=1S/C6H10N2O3/c9-2-1-4-6(11)7-3-5(10)8-4/h4,9H,1-3H2,(H,7,11)(H,8,10)/t4-/m0/s1
InChIKeyYUMNGCOHGVQKNN-BYPYZUCNSA-N
MW158.16 g/mol
LogP-2.02
Rot. Bonds2

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

(3S)-3-(2-hydroxyethyl)piperazine-2,5-dione (PubChem CID 16639267) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is (3S)-3-(2-hydroxyethyl)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S)-3-(2-hydroxyethyl)piperazine-2,5-dione
PubChem CID16639267
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name(3S)-3-(2-hydroxyethyl)piperazine-2,5-dione
SMILESO=C1CNC(=O)[C@H](CCO)N1
InChIInChI=1S/C6H10N2O3/c9-2-1-4-6(11)7-3-5(10)8-4/h4,9H,1-3H2,(H,7,11)(H,8,10)/t4-/m0/s1
InChIKeyYUMNGCOHGVQKNN-BYPYZUCNSA-N
XLogP-2.02
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-2.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,6-dioxopiperazin-2-yl)acetic acid
CID 67867045
2-[(2S)-3,6-dioxopiperazin-2-yl]acetic acid
CID 7408478
(3S)-3-(4-aminobutyl)piperazine-2,5-dione
CID 45115653
trans-(3R,6R)-3,6-bis(sulfanylmethyl)-1,4,7,10-tetrazacyclododecane-2,5,8,11-tetrone
CID 154446648
N-[3-[(2S,5S,8R)-5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide
CID 23451539
(3S)-3-(4-phenylbutyl)piperazine-2,5-dione
CID 69365417
2-(3,6-dioxopiperazin-2-yl)ethyl pyrrolidine-1-carbodithioate
CID 71677696
N-[3-[(2S,5S,8S)-5,8-bis[3-[acetyl(hydroxy)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-hydroxyacetamide;iron
CID 53297345
CID 23304978
CID 23304978
N-[3-[(2S,5S,8S)-5,8-bis[3-[acetyl(oxido)amino]propyl]-3,6,9,12,15,18-hexaoxo-1,4,7,10,13,16-hexazacyclooctadec-2-yl]propyl]-N-oxidoacetamide
CID 121489512
(3R)-3-benzylpiperazine-2,5-dione
CID 928691
2-[(2S,5S,8S,14R,17R,20S)-5-(4-aminobutyl)-20-(carboxymethyl)-8-(hydroxymethyl)-3,6,9,12,15,18,21-heptaoxo-14,17-bis(sulfanylmethyl)-1,4,7,10,13,16,19-heptazacyclohenicos-2-yl]acetic acid
CID 11377535

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(2-hydroxyethyl)piperazine-2,5-dione?
The IUPAC name of (3S)-3-(2-hydroxyethyl)piperazine-2,5-dione (CID 16639267) is (3S)-3-(2-hydroxyethyl)piperazine-2,5-dione.
What is the SMILES notation for (3S)-3-(2-hydroxyethyl)piperazine-2,5-dione?
The canonical SMILES for (3S)-3-(2-hydroxyethyl)piperazine-2,5-dione is O=C1CNC(=O)[C@H](CCO)N1.
What is the InChIKey of (3S)-3-(2-hydroxyethyl)piperazine-2,5-dione?
The InChIKey is YUMNGCOHGVQKNN-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O3/c9-2-1-4-6(11)7-3-5(10)8-4/h4,9H,1-3H2,(H,7,11)(H,8,10)/t4-/m0/s1.
What are the key properties of (3S)-3-(2-hydroxyethyl)piperazine-2,5-dione?
(3S)-3-(2-hydroxyethyl)piperazine-2,5-dione has a molecular weight of 158.16 g/mol, XLogP of -2.02, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(2-hydroxyethyl)piperazine-2,5-dione is sourced from PubChem (CID 16639267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).