methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate

C13H22N2O3 — CID 113311614

IUPACmethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C1(CN)CCC1
InChIInChI=1S/C13H22N2O3/c1-18-11(16)10-5-2-3-8-15(10)12(17)13(9-14)6-4-7-13/h10H,2-9,14H2,1H3
InChIKeyPKRRMYUMJMDTHO-UHFFFAOYSA-N
MW254.33 g/mol
LogP0.67
Rot. Bonds3

About methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate

methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate (PubChem CID 113311614) has the molecular formula C13H22N2O3 and a molecular weight of 254.33 g/mol. Its IUPAC name is methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
PubChem CID113311614
Molecular FormulaC13H22N2O3
Molecular Weight254.33 g/mol
Exact Mass254.16
IUPAC Namemethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1C(=O)C1(CN)CCC1
InChIInChI=1S/C13H22N2O3/c1-18-11(16)10-5-2-3-8-15(10)12(17)13(9-14)6-4-7-13/h10H,2-9,14H2,1H3
InChIKeyPKRRMYUMJMDTHO-UHFFFAOYSA-N
XLogP0.67
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[1-(aminomethyl)cyclohexanecarbonyl]piperidine-2-carboxylate
CID 115437510
ethyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate
CID 115448178
ethyl 1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylate
CID 115439298
methyl 1-(1-carbamothioylcyclobutanecarbonyl)piperidine-2-carboxylate
CID 115534684
methyl (2R)-1-(2-cyclobutylacetyl)piperidine-2-carboxylate
CID 103737516
methyl 1-(4-ethylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128448
1-[4-(aminomethyl)oxane-4-carbonyl]piperidine-2-carboxylic acid
CID 115439352
methyl 1-(1-amino-3-methylcyclohexanecarbonyl)piperidine-2-carboxylate
CID 64551881
methyl 1-(4-propylpiperidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 63128449
methyl (2R)-1-(cyclopropanecarbonyl)piperidine-2-carboxylate
CID 79833593
methyl (2R)-1-(cyclopentanecarbonyl)piperidine-2-carboxylate
CID 79833170
[1-[1-(aminomethyl)cyclobutanecarbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 115447990

Frequently Asked Questions

What is the IUPAC name of methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate?
The IUPAC name of methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate (CID 113311614) is methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate?
The canonical SMILES for methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate is COC(=O)C1CCCCN1C(=O)C1(CN)CCC1.
What is the InChIKey of methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate?
The InChIKey is PKRRMYUMJMDTHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3/c1-18-11(16)10-5-2-3-8-15(10)12(17)13(9-14)6-4-7-13/h10H,2-9,14H2,1H3.
What are the key properties of methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate?
methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate has a molecular weight of 254.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[1-(aminomethyl)cyclobutanecarbonyl]piperidine-2-carboxylate is sourced from PubChem (CID 113311614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).