ethyl 2-[1-(aminomethyl)cyclobutyl]acetate

C9H17NO2 — CID 81161037

IUPACethyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCCOC(=O)CC1(CN)CCC1
InChIInChI=1S/C9H17NO2/c1-2-12-8(11)6-9(7-10)4-3-5-9/h2-7,10H2,1H3
InChIKeyOBZXJWZLOAOHLV-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.07
Rot. Bonds4

About ethyl 2-[1-(aminomethyl)cyclobutyl]acetate

ethyl 2-[1-(aminomethyl)cyclobutyl]acetate (PubChem CID 81161037) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-[1-(aminomethyl)cyclobutyl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-(aminomethyl)cyclobutyl]acetate
PubChem CID81161037
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-[1-(aminomethyl)cyclobutyl]acetate
SMILESCCOC(=O)CC1(CN)CCC1
InChIInChI=1S/C9H17NO2/c1-2-12-8(11)6-9(7-10)4-3-5-9/h2-7,10H2,1H3
InChIKeyOBZXJWZLOAOHLV-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-[1-(aminomethyl)cyclobutyl]acetate?
The IUPAC name of ethyl 2-[1-(aminomethyl)cyclobutyl]acetate (CID 81161037) is ethyl 2-[1-(aminomethyl)cyclobutyl]acetate.
What is the SMILES notation for ethyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The canonical SMILES for ethyl 2-[1-(aminomethyl)cyclobutyl]acetate is CCOC(=O)CC1(CN)CCC1.
What is the InChIKey of ethyl 2-[1-(aminomethyl)cyclobutyl]acetate?
The InChIKey is OBZXJWZLOAOHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-8(11)6-9(7-10)4-3-5-9/h2-7,10H2,1H3.
What are the key properties of ethyl 2-[1-(aminomethyl)cyclobutyl]acetate?
ethyl 2-[1-(aminomethyl)cyclobutyl]acetate 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-[1-(aminomethyl)cyclobutyl]acetate is sourced from PubChem (CID 81161037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).