methyl (2S)-6-oxopiperazine-2-carboxylate

C6H10N2O3 — CID 45082265

IUPACmethyl (2S)-6-oxopiperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CNCC(=O)N1
InChIInChI=1S/C6H10N2O3/c1-11-6(10)4-2-7-3-5(9)8-4/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyYPHRCQHMSQLRIC-BYPYZUCNSA-N
MW158.16 g/mol
LogP-1.75
Rot. Bonds1

About methyl (2S)-6-oxopiperazine-2-carboxylate

methyl (2S)-6-oxopiperazine-2-carboxylate (PubChem CID 45082265) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is methyl (2S)-6-oxopiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-6-oxopiperazine-2-carboxylate
PubChem CID45082265
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Namemethyl (2S)-6-oxopiperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CNCC(=O)N1
InChIInChI=1S/C6H10N2O3/c1-11-6(10)4-2-7-3-5(9)8-4/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1
InChIKeyYPHRCQHMSQLRIC-BYPYZUCNSA-N
XLogP-1.75
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 5-1.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl (2S)-6-oxopiperazine-2-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-6-oxopiperazine-2-carboxylate?
The IUPAC name of methyl (2S)-6-oxopiperazine-2-carboxylate (CID 45082265) is methyl (2S)-6-oxopiperazine-2-carboxylate.
What is the SMILES notation for methyl (2S)-6-oxopiperazine-2-carboxylate?
The canonical SMILES for methyl (2S)-6-oxopiperazine-2-carboxylate is COC(=O)[C@@H]1CNCC(=O)N1.
What is the InChIKey of methyl (2S)-6-oxopiperazine-2-carboxylate?
The InChIKey is YPHRCQHMSQLRIC-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-11-6(10)4-2-7-3-5(9)8-4/h4,7H,2-3H2,1H3,(H,8,9)/t4-/m0/s1.
What are the key properties of methyl (2S)-6-oxopiperazine-2-carboxylate?
methyl (2S)-6-oxopiperazine-2-carboxylate has a molecular weight of 158.16 g/mol, XLogP of -1.75, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-6-oxopiperazine-2-carboxylate is sourced from PubChem (CID 45082265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).