(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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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).