methyl (2S,5S)-5-methylpiperazine-2-carboxylate

C7H14N2O2 — CID 124669231

IUPACmethyl (2S,5S)-5-methylpiperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN[C@@H](C)CN1
InChIInChI=1S/C7H14N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyCPIPJZASUDROQG-WDSKDSINSA-N
MW158.20 g/mol
LogP-0.89
Rot. Bonds1

About methyl (2S,5S)-5-methylpiperazine-2-carboxylate

methyl (2S,5S)-5-methylpiperazine-2-carboxylate (PubChem CID 124669231) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (2S,5S)-5-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,5S)-5-methylpiperazine-2-carboxylate
PubChem CID124669231
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl (2S,5S)-5-methylpiperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1CN[C@@H](C)CN1
InChIInChI=1S/C7H14N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyCPIPJZASUDROQG-WDSKDSINSA-N
XLogP-0.89
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-aziridine-2-carboxylate
CID 10329257
methyl 5-chloropiperazine-2-carboxylate
CID 55265097
N-(2-methoxypropyl)-5-methylpiperazine-2-carboxamide
CID 102698384
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl (4R)-3-azabicyclo[4.1.0]heptane-4-carboxylate
CID 178103396
methyl (2S,4R)-4-sulfanylpyrrolidine-2-carboxylate
CID 137346896
methyl (2S)-4-iodopyrrolidine-2-carboxylate
CID 70651228
methyl (3R,6S)-6-methylpiperidine-3-carboxylate
CID 59277634
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
CID 12764090
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
methyl (2R,5R)-5-methylpyrrolidine-2-carboxylate
CID 45089980
methyl 1,4-diazepane-2-carboxylate
CID 45358161

Frequently Asked Questions

What is the IUPAC name of methyl (2S,5S)-5-methylpiperazine-2-carboxylate?
The IUPAC name of methyl (2S,5S)-5-methylpiperazine-2-carboxylate (CID 124669231) is methyl (2S,5S)-5-methylpiperazine-2-carboxylate.
What is the SMILES notation for methyl (2S,5S)-5-methylpiperazine-2-carboxylate?
The canonical SMILES for methyl (2S,5S)-5-methylpiperazine-2-carboxylate is COC(=O)[C@@H]1CN[C@@H](C)CN1.
What is the InChIKey of methyl (2S,5S)-5-methylpiperazine-2-carboxylate?
The InChIKey is CPIPJZASUDROQG-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5-3-9-6(4-8-5)7(10)11-2/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of methyl (2S,5S)-5-methylpiperazine-2-carboxylate?
methyl (2S,5S)-5-methylpiperazine-2-carboxylate has a molecular weight of 158.20 g/mol, XLogP of -0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,5S)-5-methylpiperazine-2-carboxylate is sourced from PubChem (CID 124669231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).