ethyl 1-(aminomethyl)cyclobutane-1-carboxylate

C8H15NO2 — CID 45122079

IUPACethyl 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(CN)CCC1
InChIInChI=1S/C8H15NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-6,9H2,1H3
InChIKeyGPEFDMPXVMDHKY-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.68
Rot. Bonds3

About ethyl 1-(aminomethyl)cyclobutane-1-carboxylate

ethyl 1-(aminomethyl)cyclobutane-1-carboxylate (PubChem CID 45122079) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 1-(aminomethyl)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(aminomethyl)cyclobutane-1-carboxylate
PubChem CID45122079
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 1-(aminomethyl)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(CN)CCC1
InChIInChI=1S/C8H15NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-6,9H2,1H3
InChIKeyGPEFDMPXVMDHKY-UHFFFAOYSA-N
XLogP0.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(aminomethyl)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(aminomethyl)cyclobutane-1-carboxylate (CID 45122079) is ethyl 1-(aminomethyl)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(aminomethyl)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(aminomethyl)cyclobutane-1-carboxylate is CCOC(=O)C1(CN)CCC1.
What is the InChIKey of ethyl 1-(aminomethyl)cyclobutane-1-carboxylate?
The InChIKey is GPEFDMPXVMDHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-11-7(10)8(6-9)4-3-5-8/h2-6,9H2,1H3.
What are the key properties of ethyl 1-(aminomethyl)cyclobutane-1-carboxylate?
ethyl 1-(aminomethyl)cyclobutane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(aminomethyl)cyclobutane-1-carboxylate is sourced from PubChem (CID 45122079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).