ethyl 3-aminocyclobutane-1-carboxylate

C7H13NO2 — CID 46224517

IUPACethyl 3-aminocyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(N)C1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)5-3-6(8)4-5/h5-6H,2-4,8H2,1H3
InChIKeyRLWYQPWCTNGHEF-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.29
Rot. Bonds2

About ethyl 3-aminocyclobutane-1-carboxylate

ethyl 3-aminocyclobutane-1-carboxylate (PubChem CID 46224517) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is ethyl 3-aminocyclobutane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-aminocyclobutane-1-carboxylate
PubChem CID46224517
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Nameethyl 3-aminocyclobutane-1-carboxylate
SMILESCCOC(=O)C1CC(N)C1
InChIInChI=1S/C7H13NO2/c1-2-10-7(9)5-3-6(8)4-5/h5-6H,2-4,8H2,1H3
InChIKeyRLWYQPWCTNGHEF-UHFFFAOYSA-N
XLogP0.29
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminocyclobutane-1-carboxylate?
The IUPAC name of ethyl 3-aminocyclobutane-1-carboxylate (CID 46224517) is ethyl 3-aminocyclobutane-1-carboxylate.
What is the SMILES notation for ethyl 3-aminocyclobutane-1-carboxylate?
The canonical SMILES for ethyl 3-aminocyclobutane-1-carboxylate is CCOC(=O)C1CC(N)C1.
What is the InChIKey of ethyl 3-aminocyclobutane-1-carboxylate?
The InChIKey is RLWYQPWCTNGHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-2-10-7(9)5-3-6(8)4-5/h5-6H,2-4,8H2,1H3.
What are the key properties of ethyl 3-aminocyclobutane-1-carboxylate?
ethyl 3-aminocyclobutane-1-carboxylate has a molecular weight of 143.19 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-aminocyclobutane-1-carboxylate is sourced from PubChem (CID 46224517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).