methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride

C6H11ClN2O3 — CID 155822320

IUPACmethyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CNCC(=O)N1.Cl
InChIInChI=1S/C6H10N2O3.ClH/c1-11-6(10)4-2-7-3-5(9)8-4;/h4,7H,2-3H2,1H3,(H,8,9);1H/t4-;/m1./s1
InChIKeyUOWBLXVFSPXLAC-PGMHMLKASA-N
MW194.62 g/mol
LogP-1.33
Rot. Bonds1

About methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride

methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride (PubChem CID 155822320) has the molecular formula C6H11ClN2O3 and a molecular weight of 194.62 g/mol. Its IUPAC name is methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride
PubChem CID155822320
Molecular FormulaC6H11ClN2O3
Molecular Weight194.62 g/mol
Exact Mass194.05
IUPAC Namemethyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@H]1CNCC(=O)N1.Cl
InChIInChI=1S/C6H10N2O3.ClH/c1-11-6(10)4-2-7-3-5(9)8-4;/h4,7H,2-3H2,1H3,(H,8,9);1H/t4-;/m1./s1
InChIKeyUOWBLXVFSPXLAC-PGMHMLKASA-N
XLogP-1.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl Piperazine-2-carboxylate Dihydrochloride
CID 2760425
5-Oxopiperazine-2-carboxylic acid
CID 21304731
methyl (2S)-2-((2S)-2-aminopropanamido)propanoate hydrochloride
CID 13967281
(S)-methyl 6-oxopiperazine-2-carboxylate
CID 45082265
Methyl 3-oxopiperazine-2-carboxylate
CID 45099483
methyl (2R)-2-[(2R)-2-aminopropanamido]propanoate hydrochloride
CID 56924290
1-tert-Butyl 3-methyl 5-oxopiperazine-1,3-dicarboxylate
CID 59817704
Methyl 5-oxopiperazine-2-carboxylate
CID 75040877
1-Methyl-5-oxopiperazine-2-carboxylic acid
CID 84107661
(S)-1-(tert-Butyl) 3-methyl 5-oxopiperazine-1,3-dicarboxylate
CID 86690594
1-(tert-Butyl) 3-methyl (R)-5-oxopiperazine-1,3-dicarboxylate
CID 126509897
Methyl 4-methylpiperazine-2-carboxylate dihydrochloride
CID 163355424

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride (CID 155822320) is methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride is COC(=O)[C@H]1CNCC(=O)N1.Cl.
What is the InChIKey of methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride?
The InChIKey is UOWBLXVFSPXLAC-PGMHMLKASA-N. The full InChI is InChI=1S/C6H10N2O3.ClH/c1-11-6(10)4-2-7-3-5(9)8-4;/h4,7H,2-3H2,1H3,(H,8,9);1H/t4-;/m1./s1.
What are the key properties of methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride?
methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride has a molecular weight of 194.62 g/mol, XLogP of -1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-6-oxopiperazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 155822320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).