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

C12H23NO2 — CID 51698816

IUPACmethyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate
SMILESCC[C@@](C)(C(=O)OC)N1CCC[C@H](C)C1
InChIInChI=1S/C12H23NO2/c1-5-12(3,11(14)15-4)13-8-6-7-10(2)9-13/h10H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKeyMGVMHLJMIWYJRP-JQWIXIFHSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds3

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

methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate (PubChem CID 51698816) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate
PubChem CID51698816
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Namemethyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate
SMILESCC[C@@](C)(C(=O)OC)N1CCC[C@H](C)C1
InChIInChI=1S/C12H23NO2/c1-5-12(3,11(14)15-4)13-8-6-7-10(2)9-13/h10H,5-9H2,1-4H3/t10-,12-/m0/s1
InChIKeyMGVMHLJMIWYJRP-JQWIXIFHSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate?
The IUPAC name of methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate (CID 51698816) is methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate.
What is the SMILES notation for methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate?
The canonical SMILES for methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate is CC[C@@](C)(C(=O)OC)N1CCC[C@H](C)C1.
What is the InChIKey of methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate?
The InChIKey is MGVMHLJMIWYJRP-JQWIXIFHSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-12(3,11(14)15-4)13-8-6-7-10(2)9-13/h10H,5-9H2,1-4H3/t10-,12-/m0/s1.
What are the key properties of methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate?
methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-methyl-2-[(3S)-3-methylpiperidin-1-yl]butanoate is sourced from PubChem (CID 51698816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).