butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate

C11H22N2O2 — CID 142779221

IUPACbutyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CCCC1CCN
InChIInChI=1S/C11H22N2O2/c1-2-3-9-15-11(14)13-8-4-5-10(13)6-7-12/h10H,2-9,12H2,1H3
InChIKeyJFEZAHRPWJTTHF-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.74
Rot. Bonds5

About butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate

butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate (PubChem CID 142779221) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate
PubChem CID142779221
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namebutyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate
SMILESCCCCOC(=O)N1CCCC1CCN
InChIInChI=1S/C11H22N2O2/c1-2-3-9-15-11(14)13-8-4-5-10(13)6-7-12/h10H,2-9,12H2,1H3
InChIKeyJFEZAHRPWJTTHF-UHFFFAOYSA-N
XLogP1.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate?
The IUPAC name of butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate (CID 142779221) is butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate?
The canonical SMILES for butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate is CCCCOC(=O)N1CCCC1CCN.
What is the InChIKey of butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate?
The InChIKey is JFEZAHRPWJTTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-3-9-15-11(14)13-8-4-5-10(13)6-7-12/h10H,2-9,12H2,1H3.
What are the key properties of butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate?
butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate has a molecular weight of 214.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-(2-aminoethyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 142779221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).