methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate

C12H24N2O2 — CID 104968691

IUPACmethyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H24N2O2/c1-9-6-5-7-10(2)14(9)8-12(3,13)11(15)16-4/h9-10H,5-8,13H2,1-4H3/t9-,10+,12?
InChIKeyWPUWIZJWZNQJMQ-DHHPTOIESA-N
MW228.34 g/mol
LogP1.14
Rot. Bonds3

About methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate

methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate (PubChem CID 104968691) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate
PubChem CID104968691
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namemethyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(N)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C12H24N2O2/c1-9-6-5-7-10(2)14(9)8-12(3,13)11(15)16-4/h9-10H,5-8,13H2,1-4H3/t9-,10+,12?
InChIKeyWPUWIZJWZNQJMQ-DHHPTOIESA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-methyl-3-(3,4,5-trimethylpiperazin-1-yl)propanoate
CID 114539439
methyl 3-[2-(aminomethyl)-6-methylpiperidin-1-yl]-2-hydroxy-2-methylpropanoate
CID 113436609
2-(cyclopropylamino)-3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoic acid
CID 104968620
1-(2,6-dimethylpiperidin-1-yl)-4-(ethyl(15N)amino)-2,2,4-trimethylpentan-3-one
CID 121340865
methyl 2-cyclopropyl-3-(2,6-dimethylpiperidin-1-yl)-2-(propan-2-ylamino)propanoate
CID 63908288
4-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2,3,3-trimethylbutan-2-amine
CID 104967667
1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropan-2-ol
CID 131140899
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
1-(2,6-dimethylpiperidin-1-yl)-2,2,4-trimethyl-4-(propyl(15N)amino)pentan-3-one
CID 121340853
2-amino-5-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpentanamide
CID 104968697
methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
CID 14810577
methyl 2-amino-3-[cyclobutylmethyl(methyl)amino]-2-methylpropanoate
CID 62861557

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate (CID 104968691) is methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate is COC(=O)C(C)(N)CN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate?
The InChIKey is WPUWIZJWZNQJMQ-DHHPTOIESA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9-6-5-7-10(2)14(9)8-12(3,13)11(15)16-4/h9-10H,5-8,13H2,1-4H3/t9-,10+,12?.
What are the key properties of methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate?
methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate has a molecular weight of 228.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-2-methylpropanoate is sourced from PubChem (CID 104968691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).