methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate

C11H21NO2 — CID 93035160

IUPACmethyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)CN1CCC[C@H](C)C1
InChIInChI=1S/C11H21NO2/c1-9-5-4-6-12(7-9)8-10(2)11(13)14-3/h9-10H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyWZKWRCFMDWAEAM-VHSXEESVSA-N
MW199.29 g/mol
LogP1.53
Rot. Bonds3

About methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate

methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate (PubChem CID 93035160) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
PubChem CID93035160
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate
SMILESCOC(=O)[C@H](C)CN1CCC[C@H](C)C1
InChIInChI=1S/C11H21NO2/c1-9-5-4-6-12(7-9)8-10(2)11(13)14-3/h9-10H,4-8H2,1-3H3/t9-,10+/m0/s1
InChIKeyWZKWRCFMDWAEAM-VHSXEESVSA-N
XLogP1.53
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-amino-4-(3-methylpiperidin-1-yl)butanoate
CID 63028190
2-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]acetamide
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methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762
methyl 3-[(3S)-3-aminopyrrolidin-1-yl]-2-methylpropanoate
CID 115302351
1-(3-methylpiperidin-1-yl)propan-2-ol
CID 60886125
3-methyl-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]piperidine-1-carboxamide
CID 60577941
methyl 2-methyl-3-[methyl-(3-methylpiperidine-1-carbonyl)amino]propanoate
CID 79162858
2-methyl-3-(methylamino)-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]propanamide;dihydrochloride
CID 119863256
4-amino-N-[1-(3-methylpiperidin-1-yl)propan-2-yl]pentanamide;dihydrochloride
CID 120564985
methyl 2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]propanoate
CID 71847849
methyl 1-(2-acetamido-3-methoxy-3-oxopropyl)piperidine-3-carboxylate
CID 11087384
2-methyl-3-(3-methylpyrrolidin-1-yl)propanoic acid
CID 61225596

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate?
The IUPAC name of methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate (CID 93035160) is methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate.
What is the SMILES notation for methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate?
The canonical SMILES for methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate is COC(=O)[C@H](C)CN1CCC[C@H](C)C1.
What is the InChIKey of methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate?
The InChIKey is WZKWRCFMDWAEAM-VHSXEESVSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9-5-4-6-12(7-9)8-10(2)11(13)14-3/h9-10H,4-8H2,1-3H3/t9-,10+/m0/s1.
What are the key properties of methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate?
methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate has a molecular weight of 199.29 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-methyl-3-[(3S)-3-methylpiperidin-1-yl]propanoate is sourced from PubChem (CID 93035160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).