methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride

C7H13ClN2O3 — CID 166640271

IUPACmethyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CN(C)C(=O)CN1.Cl
InChIInChI=1S/C7H12N2O3.ClH/c1-9-4-5(7(11)12-2)8-3-6(9)10;/h5,8H,3-4H2,1-2H3;1H/t5-;/m0./s1
InChIKeyDVLQSEYYKLOATG-JEDNCBNOSA-N
MW208.64 g/mol
LogP-0.99
Rot. Bonds1

About methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride

methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride (PubChem CID 166640271) has the molecular formula C7H13ClN2O3 and a molecular weight of 208.64 g/mol. Its IUPAC name is methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride
PubChem CID166640271
Molecular FormulaC7H13ClN2O3
Molecular Weight208.64 g/mol
Exact Mass208.06
IUPAC Namemethyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride
SMILESCOC(=O)[C@@H]1CN(C)C(=O)CN1.Cl
InChIInChI=1S/C7H12N2O3.ClH/c1-9-4-5(7(11)12-2)8-3-6(9)10;/h5,8H,3-4H2,1-2H3;1H/t5-;/m0./s1
InChIKeyDVLQSEYYKLOATG-JEDNCBNOSA-N
XLogP-0.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-methyl-5-oxopiperazine-2-carboxylic acid
CID 131215833
methyl 5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylate
CID 165444569
methyl 2-methyl-3-oxo-4,5,6,7-tetrahydro-1H-pyrazolo[3,4-c]pyridine-5-carboxylate
CID 105464797
methyl (2S)-aziridine-2-carboxylate
CID 10329257
4-methyl-5-oxo-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperazine-2-carboxamide
CID 138050957
methyl (6R)-2,3,4,5,6,7-hexahydro-1H-imidazo[4,5-c]pyridine-6-carboxylate
CID 86340649
(5R)-5-ethynyl-1-methylpiperazin-2-one
CID 155330254
methyl (3R)-1,1-dioxo-1,4-thiazinane-3-carboxylate
CID 86767726
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
1-methyl-5-(2-methylpropyl)piperazin-2-one
CID 44630637
methyl 2-methyl-5-oxopyrazolidine-3-carboxylate;hydrochloride
CID 154810975
methyl (2S)-6-oxo-2,3-dihydro-1H-pyridine-2-carboxylate
CID 15233513

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride?
The IUPAC name of methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride (CID 166640271) is methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride is COC(=O)[C@@H]1CN(C)C(=O)CN1.Cl.
What is the InChIKey of methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride?
The InChIKey is DVLQSEYYKLOATG-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H12N2O3.ClH/c1-9-4-5(7(11)12-2)8-3-6(9)10;/h5,8H,3-4H2,1-2H3;1H/t5-;/m0./s1.
What are the key properties of methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride?
methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride has a molecular weight of 208.64 g/mol, XLogP of -0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-5-oxopiperazine-2-carboxylate;hydrochloride is sourced from PubChem (CID 166640271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).