3-(dimethylamino)butyl pyrrolidine-1-carboxylate

C11H22N2O2 — CID 44589437

IUPAC3-(dimethylamino)butyl pyrrolidine-1-carboxylate
SMILESCC(CCOC(=O)N1CCCC1)N(C)C
InChIInChI=1S/C11H22N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h10H,4-9H2,1-3H3
InChIKeySZRTUTRKBGEAFX-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.56
Rot. Bonds4

About 3-(dimethylamino)butyl pyrrolidine-1-carboxylate

3-(dimethylamino)butyl pyrrolidine-1-carboxylate (PubChem CID 44589437) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(dimethylamino)butyl pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name3-(dimethylamino)butyl pyrrolidine-1-carboxylate
PubChem CID44589437
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name3-(dimethylamino)butyl pyrrolidine-1-carboxylate
SMILESCC(CCOC(=O)N1CCCC1)N(C)C
InChIInChI=1S/C11H22N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h10H,4-9H2,1-3H3
InChIKeySZRTUTRKBGEAFX-UHFFFAOYSA-N
XLogP1.56
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)butyl pyrrolidine-1-carboxylate?
The IUPAC name of 3-(dimethylamino)butyl pyrrolidine-1-carboxylate (CID 44589437) is 3-(dimethylamino)butyl pyrrolidine-1-carboxylate.
What is the SMILES notation for 3-(dimethylamino)butyl pyrrolidine-1-carboxylate?
The canonical SMILES for 3-(dimethylamino)butyl pyrrolidine-1-carboxylate is CC(CCOC(=O)N1CCCC1)N(C)C.
What is the InChIKey of 3-(dimethylamino)butyl pyrrolidine-1-carboxylate?
The InChIKey is SZRTUTRKBGEAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(12(2)3)6-9-15-11(14)13-7-4-5-8-13/h10H,4-9H2,1-3H3.
What are the key properties of 3-(dimethylamino)butyl pyrrolidine-1-carboxylate?
3-(dimethylamino)butyl pyrrolidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)butyl pyrrolidine-1-carboxylate is sourced from PubChem (CID 44589437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).