tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate

C17H26N2O3 — CID 115059171

IUPACtert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(CCN)c1cccc(O)c1
InChIInChI=1S/C17H26N2O3/c1-16(2,3)22-15(21)19-11-5-8-17(19,9-10-18)13-6-4-7-14(20)12-13/h4,6-7,12,20H,5,8-11,18H2,1-3H3
InChIKeyAMAKWSJEAZLZFZ-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.97
Rot. Bonds3

About tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate

tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate (PubChem CID 115059171) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate
PubChem CID115059171
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nametert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(CCN)c1cccc(O)c1
InChIInChI=1S/C17H26N2O3/c1-16(2,3)22-15(21)19-11-5-8-17(19,9-10-18)13-6-4-7-14(20)12-13/h4,6-7,12,20H,5,8-11,18H2,1-3H3
InChIKeyAMAKWSJEAZLZFZ-UHFFFAOYSA-N
XLogP2.97
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate (CID 115059171) is tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1(CCN)c1cccc(O)c1.
What is the InChIKey of tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate?
The InChIKey is AMAKWSJEAZLZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-16(2,3)22-15(21)19-11-5-8-17(19,9-10-18)13-6-4-7-14(20)12-13/h4,6-7,12,20H,5,8-11,18H2,1-3H3.
What are the key properties of tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate?
tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2-aminoethyl)-2-(3-hydroxyphenyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 115059171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).