methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate

C8H16N2O2 — CID 170364847

IUPACmethyl (2S)-4-amino-6-methylpiperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC(N)CC(C)N1
InChIInChI=1S/C8H16N2O2/c1-5-3-6(9)4-7(10-5)8(11)12-2/h5-7,10H,3-4,9H2,1-2H3/t5?,6?,7-/m0/s1
InChIKeyFUEUUPBIRSPITJ-AHXFUIDQSA-N
MW172.23 g/mol
LogP-0.37
Rot. Bonds1

About methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate

methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate (PubChem CID 170364847) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4-amino-6-methylpiperidine-2-carboxylate
PubChem CID170364847
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Namemethyl (2S)-4-amino-6-methylpiperidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC(N)CC(C)N1
InChIInChI=1S/C8H16N2O2/c1-5-3-6(9)4-7(10-5)8(11)12-2/h5-7,10H,3-4,9H2,1-2H3/t5?,6?,7-/m0/s1
InChIKeyFUEUUPBIRSPITJ-AHXFUIDQSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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(2R,4R)-4-methylazetidine-2-carboxylic acid
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methyl (2S,5S)-5-methylpiperazine-2-carboxylate
CID 124669231
methyl (2S,4S,5S)-4,5-diethylpyrrolidine-2-carboxylate
CID 142507382
methyl 1,2,3,3a,4,5,6,6a-octahydrocyclopenta[b]pyrrole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate?
The IUPAC name of methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate (CID 170364847) is methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate?
The canonical SMILES for methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate is COC(=O)[C@@H]1CC(N)CC(C)N1.
What is the InChIKey of methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate?
The InChIKey is FUEUUPBIRSPITJ-AHXFUIDQSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-5-3-6(9)4-7(10-5)8(11)12-2/h5-7,10H,3-4,9H2,1-2H3/t5?,6?,7-/m0/s1.
What are the key properties of methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate?
methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate has a molecular weight of 172.23 g/mol, XLogP of -0.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-amino-6-methylpiperidine-2-carboxylate is sourced from PubChem (CID 170364847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).