methyl (2R,3R)-3-methylpiperazine-2-carboxylate

C7H14N2O2 — CID 154851459

IUPACmethyl (2R,3R)-3-methylpiperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1NCCN[C@@H]1C
InChIInChI=1S/C7H14N2O2/c1-5-6(7(10)11-2)9-4-3-8-5/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyDWBCTUIQKRTOKB-PHDIDXHHSA-N
MW158.20 g/mol
LogP-0.89
Rot. Bonds1

About methyl (2R,3R)-3-methylpiperazine-2-carboxylate

methyl (2R,3R)-3-methylpiperazine-2-carboxylate (PubChem CID 154851459) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is methyl (2R,3R)-3-methylpiperazine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R,3R)-3-methylpiperazine-2-carboxylate
PubChem CID154851459
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Namemethyl (2R,3R)-3-methylpiperazine-2-carboxylate
SMILESCOC(=O)[C@@H]1NCCN[C@@H]1C
InChIInChI=1S/C7H14N2O2/c1-5-6(7(10)11-2)9-4-3-8-5/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m1/s1
InChIKeyDWBCTUIQKRTOKB-PHDIDXHHSA-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

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CID 45089991
methyl (3R)-3-hydroxypyrrolidine-2-carboxylate
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methyl 2-methylmorpholine-3-carboxylate;hydrochloride
CID 138113042
methyl (2S,3R)-3-aminopyrrolidine-2-carboxylate
CID 45090024
methyl 3-aminopyrrolidine-2-carboxylate
CID 75089215
methyl (2S)-3-aminopyrrolidine-2-carboxylate
CID 141294967
methyl (2S,3S,4R)-3,4-dihydroxypiperidine-2-carboxylate
CID 178197389
methyl (2R,3S)-3-hydroxypiperidine-2-carboxylate;hydrochloride
CID 155973336
methyl 2-methylazetidine-3-carboxylate;hydrochloride
CID 118796246
methyl (2R,3S)-3-(3-ethoxy-3-oxopropyl)piperazine-2-carboxylate
CID 118359809
methyl (2S)-3-methyl-4-oxopyrrolidine-2-carboxylate;sulfane
CID 158781843
methyl 2,6-dimethylmorpholine-3-carboxylate
CID 110192673

Frequently Asked Questions

What is the IUPAC name of methyl (2R,3R)-3-methylpiperazine-2-carboxylate?
The IUPAC name of methyl (2R,3R)-3-methylpiperazine-2-carboxylate (CID 154851459) is methyl (2R,3R)-3-methylpiperazine-2-carboxylate.
What is the SMILES notation for methyl (2R,3R)-3-methylpiperazine-2-carboxylate?
The canonical SMILES for methyl (2R,3R)-3-methylpiperazine-2-carboxylate is COC(=O)[C@@H]1NCCN[C@@H]1C.
What is the InChIKey of methyl (2R,3R)-3-methylpiperazine-2-carboxylate?
The InChIKey is DWBCTUIQKRTOKB-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5-6(7(10)11-2)9-4-3-8-5/h5-6,8-9H,3-4H2,1-2H3/t5-,6-/m1/s1.
What are the key properties of methyl (2R,3R)-3-methylpiperazine-2-carboxylate?
methyl (2R,3R)-3-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 (2R,3R)-3-methylpiperazine-2-carboxylate is sourced from PubChem (CID 154851459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).