ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate

C10H15NO3 — CID 126592813

IUPACethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate
SMILES[H]/N=C/C(=O)C1CC(CC(=O)OCC)C1
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)5-7-3-8(4-7)9(12)6-11/h6-8,11H,2-5H2,1H3/b11-6+
InChIKeyZMTBIIBHQNYMLQ-IZZDOVSWSA-N
MW197.23 g/mol
LogP1.18
Rot. Bonds5

About ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate

ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate (PubChem CID 126592813) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate
PubChem CID126592813
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Nameethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate
SMILES[H]/N=C/C(=O)C1CC(CC(=O)OCC)C1
InChIInChI=1S/C10H15NO3/c1-2-14-10(13)5-7-3-8(4-7)9(12)6-11/h6-8,11H,2-5H2,1H3/b11-6+
InChIKeyZMTBIIBHQNYMLQ-IZZDOVSWSA-N
XLogP1.18
TPSA67.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate?
The IUPAC name of ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate (CID 126592813) is ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate.
What is the SMILES notation for ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate?
The canonical SMILES for ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate is [H]/N=C/C(=O)C1CC(CC(=O)OCC)C1.
What is the InChIKey of ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate?
The InChIKey is ZMTBIIBHQNYMLQ-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-14-10(13)5-7-3-8(4-7)9(12)6-11/h6-8,11H,2-5H2,1H3/b11-6+.
What are the key properties of ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate?
ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate has a molecular weight of 197.23 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-(2-iminoacetyl)cyclobutyl]acetate is sourced from PubChem (CID 126592813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).