tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate

C11H22N2O3 — CID 83487199

IUPACtert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C1CCN
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-7-5-9(14)8(13)4-6-12/h8-9,14H,4-7,12H2,1-3H3
InChIKeyVTNQWFIFOIPTQB-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.71
Rot. Bonds2

About tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate

tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate (PubChem CID 83487199) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate
PubChem CID83487199
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Nametert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(O)C1CCN
InChIInChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-7-5-9(14)8(13)4-6-12/h8-9,14H,4-7,12H2,1-3H3
InChIKeyVTNQWFIFOIPTQB-UHFFFAOYSA-N
XLogP0.71
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-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

Related Compounds

tert-butyl (2S,3R)-2-(aminomethyl)-3-hydroxypyrrolidine-1-carboxylate
CID 96611141
2-[3-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]acetic acid
CID 83488189
tert-butyl (2S,3R)-3-hydroxy-2-(hydroxymethyl)piperidine-1-carboxylate
CID 11276298
tert-butyl (2S)-2-tert-butyl-3-hydroxypyrrolidine-1-carboxylate
CID 141408169
tert-butyl 2-(hydroxymethyl)-3-methylpyrrolidine-1-carboxylate
CID 67085705
tert-butyl 4-(2-aminoethyl)-2-(2-methylpropyl)piperidine-1-carboxylate
CID 84813183
tert-butyl 4-(2-aminoethyl)-2-ethylpiperidine-1-carboxylate
CID 84805351
tert-butyl (2R,3S)-2-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-3-hydroxypiperidine-1-carboxylate
CID 11845978
tert-butyl (2S,3R)-3-hydroxy-2-(phenylselanylmethyl)pyrrolidine-1-carboxylate
CID 11035659
tert-butyl (2R,3S)-2-ethyl-3-methylpyrrolidine-1-carboxylate
CID 170139098
ditert-butyl (3S)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 90943157
tert-butyl (2R,3S)-2-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-3-hydroxypiperidine-1-carboxylate
CID 11845979

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate (CID 83487199) is tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(O)C1CCN.
What is the InChIKey of tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate?
The InChIKey is VTNQWFIFOIPTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)16-10(15)13-7-5-9(14)8(13)4-6-12/h8-9,14H,4-7,12H2,1-3H3.
What are the key properties of tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate?
tert-butyl 2-(2-aminoethyl)-3-hydroxypyrrolidine-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 0.71, 2 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)-3-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 83487199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).