3-(dimethylamino)butyl cyclobutanecarboxylate

C11H21NO2 — CID 25158667

IUPAC3-(dimethylamino)butyl cyclobutanecarboxylate
SMILESCC(CCOC(=O)C1CCC1)N(C)C
InChIInChI=1S/C11H21NO2/c1-9(12(2)3)7-8-14-11(13)10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyADDMHRDNMJOPOR-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.67
Rot. Bonds5

About 3-(dimethylamino)butyl cyclobutanecarboxylate

3-(dimethylamino)butyl cyclobutanecarboxylate (PubChem CID 25158667) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 3-(dimethylamino)butyl cyclobutanecarboxylate.

Molecular Properties

Compound Name3-(dimethylamino)butyl cyclobutanecarboxylate
PubChem CID25158667
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name3-(dimethylamino)butyl cyclobutanecarboxylate
SMILESCC(CCOC(=O)C1CCC1)N(C)C
InChIInChI=1S/C11H21NO2/c1-9(12(2)3)7-8-14-11(13)10-5-4-6-10/h9-10H,4-8H2,1-3H3
InChIKeyADDMHRDNMJOPOR-UHFFFAOYSA-N
XLogP1.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)butyl cyclobutanecarboxylate?
The IUPAC name of 3-(dimethylamino)butyl cyclobutanecarboxylate (CID 25158667) is 3-(dimethylamino)butyl cyclobutanecarboxylate.
What is the SMILES notation for 3-(dimethylamino)butyl cyclobutanecarboxylate?
The canonical SMILES for 3-(dimethylamino)butyl cyclobutanecarboxylate is CC(CCOC(=O)C1CCC1)N(C)C.
What is the InChIKey of 3-(dimethylamino)butyl cyclobutanecarboxylate?
The InChIKey is ADDMHRDNMJOPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(12(2)3)7-8-14-11(13)10-5-4-6-10/h9-10H,4-8H2,1-3H3.
What are the key properties of 3-(dimethylamino)butyl cyclobutanecarboxylate?
3-(dimethylamino)butyl cyclobutanecarboxylate has a molecular weight of 199.29 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)butyl cyclobutanecarboxylate is sourced from PubChem (CID 25158667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).