ethyl 2-amino-3-cyclobutylpropanoate

C9H17NO2 — CID 23594366

IUPACethyl 2-amino-3-cyclobutylpropanoate
SMILESCCOC(=O)C(N)CC1CCC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)8(10)6-7-4-3-5-7/h7-8H,2-6,10H2,1H3
InChIKeyLBMYKRXWOHTRIK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds4

About ethyl 2-amino-3-cyclobutylpropanoate

ethyl 2-amino-3-cyclobutylpropanoate (PubChem CID 23594366) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-amino-3-cyclobutylpropanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-cyclobutylpropanoate
PubChem CID23594366
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-amino-3-cyclobutylpropanoate
SMILESCCOC(=O)C(N)CC1CCC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)8(10)6-7-4-3-5-7/h7-8H,2-6,10H2,1H3
InChIKeyLBMYKRXWOHTRIK-UHFFFAOYSA-N
XLogP1.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-cyclobutylpropanoate?
The IUPAC name of ethyl 2-amino-3-cyclobutylpropanoate (CID 23594366) is ethyl 2-amino-3-cyclobutylpropanoate.
What is the SMILES notation for ethyl 2-amino-3-cyclobutylpropanoate?
The canonical SMILES for ethyl 2-amino-3-cyclobutylpropanoate is CCOC(=O)C(N)CC1CCC1.
What is the InChIKey of ethyl 2-amino-3-cyclobutylpropanoate?
The InChIKey is LBMYKRXWOHTRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-9(11)8(10)6-7-4-3-5-7/h7-8H,2-6,10H2,1H3.
What are the key properties of ethyl 2-amino-3-cyclobutylpropanoate?
ethyl 2-amino-3-cyclobutylpropanoate has a molecular weight of 171.24 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-cyclobutylpropanoate is sourced from PubChem (CID 23594366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).