acetic acid;methyl 6-methylpiperidine-3-carboxylate

C10H19NO4 — CID 154942915

IUPACacetic acid;methyl 6-methylpiperidine-3-carboxylate
SMILESCC(=O)O.COC(=O)C1CCC(C)NC1
InChIInChI=1S/C8H15NO2.C2H4O2/c1-6-3-4-7(5-9-6)8(10)11-2;1-2(3)4/h6-7,9H,3-5H2,1-2H3;1H3,(H,3,4)
InChIKeyNHCHYVLSRYTTNG-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds1

About acetic acid;methyl 6-methylpiperidine-3-carboxylate

acetic acid;methyl 6-methylpiperidine-3-carboxylate (PubChem CID 154942915) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is acetic acid;methyl 6-methylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameacetic acid;methyl 6-methylpiperidine-3-carboxylate
PubChem CID154942915
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Nameacetic acid;methyl 6-methylpiperidine-3-carboxylate
SMILESCC(=O)O.COC(=O)C1CCC(C)NC1
InChIInChI=1S/C8H15NO2.C2H4O2/c1-6-3-4-7(5-9-6)8(10)11-2;1-2(3)4/h6-7,9H,3-5H2,1-2H3;1H3,(H,3,4)
InChIKeyNHCHYVLSRYTTNG-UHFFFAOYSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze acetic acid;methyl 6-methylpiperidine-3-carboxylate 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 acetic acid;methyl 6-methylpiperidine-3-carboxylate?
The IUPAC name of acetic acid;methyl 6-methylpiperidine-3-carboxylate (CID 154942915) is acetic acid;methyl 6-methylpiperidine-3-carboxylate.
What is the SMILES notation for acetic acid;methyl 6-methylpiperidine-3-carboxylate?
The canonical SMILES for acetic acid;methyl 6-methylpiperidine-3-carboxylate is CC(=O)O.COC(=O)C1CCC(C)NC1.
What is the InChIKey of acetic acid;methyl 6-methylpiperidine-3-carboxylate?
The InChIKey is NHCHYVLSRYTTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2.C2H4O2/c1-6-3-4-7(5-9-6)8(10)11-2;1-2(3)4/h6-7,9H,3-5H2,1-2H3;1H3,(H,3,4).
What are the key properties of acetic acid;methyl 6-methylpiperidine-3-carboxylate?
acetic acid;methyl 6-methylpiperidine-3-carboxylate has a molecular weight of 217.26 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;methyl 6-methylpiperidine-3-carboxylate is sourced from PubChem (CID 154942915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).