ethyl 1-(methylamino)cyclobutane-1-carboxylate

C8H15NO2 — CID 62389285

IUPACethyl 1-(methylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC1
InChIInChI=1S/C8H15NO2/c1-3-11-7(10)8(9-2)5-4-6-8/h9H,3-6H2,1-2H3
InChIKeyIPZPNZDLTSBDTG-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

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

ethyl 1-(methylamino)cyclobutane-1-carboxylate (PubChem CID 62389285) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is ethyl 1-(methylamino)cyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(methylamino)cyclobutane-1-carboxylate
PubChem CID62389285
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Nameethyl 1-(methylamino)cyclobutane-1-carboxylate
SMILESCCOC(=O)C1(NC)CCC1
InChIInChI=1S/C8H15NO2/c1-3-11-7(10)8(9-2)5-4-6-8/h9H,3-6H2,1-2H3
InChIKeyIPZPNZDLTSBDTG-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(methylamino)cyclobutane-1-carboxylate?
The IUPAC name of ethyl 1-(methylamino)cyclobutane-1-carboxylate (CID 62389285) is ethyl 1-(methylamino)cyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 1-(methylamino)cyclobutane-1-carboxylate?
The canonical SMILES for ethyl 1-(methylamino)cyclobutane-1-carboxylate is CCOC(=O)C1(NC)CCC1.
What is the InChIKey of ethyl 1-(methylamino)cyclobutane-1-carboxylate?
The InChIKey is IPZPNZDLTSBDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-3-11-7(10)8(9-2)5-4-6-8/h9H,3-6H2,1-2H3.
What are the key properties of ethyl 1-(methylamino)cyclobutane-1-carboxylate?
ethyl 1-(methylamino)cyclobutane-1-carboxylate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(methylamino)cyclobutane-1-carboxylate is sourced from PubChem (CID 62389285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).