methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate

C13H21NO3 — CID 103737516

IUPACmethyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)CC1CCC1
InChIInChI=1S/C13H21NO3/c1-17-13(16)11-7-2-3-8-14(11)12(15)9-10-5-4-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyPQSZQBGACDRZSR-LLVKDONJSA-N
MW239.31 g/mol
LogP1.73
Rot. Bonds3

About methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate

methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate (PubChem CID 103737516) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
PubChem CID103737516
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Namemethyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
SMILESCOC(=O)[C@H]1CCCCN1C(=O)CC1CCC1
InChIInChI=1S/C13H21NO3/c1-17-13(16)11-7-2-3-8-14(11)12(15)9-10-5-4-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1
InChIKeyPQSZQBGACDRZSR-LLVKDONJSA-N
XLogP1.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

methyl 1-[2-(cyclopropylmethylamino)acetyl]piperidine-2-carboxylate
CID 54870307
ethyl 1-(2-cyclopentylacetyl)pyrrolidine-2-carboxylate
CID 55005769
methyl (2R)-1-[2-(oxolan-2-yl)acetyl]piperidine-2-carboxylate
CID 79832834
methyl 1-[2-(8-azabicyclo[3.2.1]octan-3-yl)acetyl]pyrrolidine-2-carboxylate
CID 79607684
methyl 1-(4-hydroxypentanoyl)piperidine-2-carboxylate
CID 79200751
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl 1-(3-methoxypropanoyl)pyrrolidine-2-carboxylate
CID 62590989
methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 113311614
methyl 1-(2,2,3,3-tetramethylcyclopropanecarbonyl)piperidine-2-carboxylate
CID 79165530
methyl 1-(5-aminohexanoyl)piperidine-2-carboxylate
CID 82851617
methyl 1-(2,2-difluoroacetyl)piperidine-2-carboxylate
CID 103514360

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate?
The IUPAC name of methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate (CID 103737516) is methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate?
The canonical SMILES for methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate is COC(=O)[C@H]1CCCCN1C(=O)CC1CCC1.
What is the InChIKey of methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate?
The InChIKey is PQSZQBGACDRZSR-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21NO3/c1-17-13(16)11-7-2-3-8-14(11)12(15)9-10-5-4-6-10/h10-11H,2-9H2,1H3/t11-/m1/s1.
What are the key properties of methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate?
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate has a molecular weight of 239.31 g/mol, XLogP of 1.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate is sourced from PubChem (CID 103737516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).