tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate

C10H20N2O3 — CID 10584835

IUPACtert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C(CN)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3
InChIKeyAHJZEZIYOBGVSK-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.17
Rot. Bonds1

About tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate

tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 10584835) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID10584835
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Nametert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(O)C(CN)C1
InChIInChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3
InChIKeyAHJZEZIYOBGVSK-UHFFFAOYSA-N
XLogP0.17
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl (3S)-3-hydroxypyrrolidine-1-carboxylate
CID 854055
1-Boc-3-pyrrolidinol
CID 4416939
4-Boc-aminomethyl-3-hydroxy-1-N-Boc-pyrrolidine
CID 4532904
Tert-butyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
CID 10798587
(3R,4R)-3-Amino-1-Boc-4-hydroxypyrrolidine
CID 11275699
rel-1,1-Dimethylethyl (3R,4R)-3-hydroxy-4-(methylamino)-1-pyrrolidinecarboxylate
CID 28819679
tert-Butyl (3R)-3-hydroxypyrrolidine-1-carboxylate
CID 6544479
tert-butyl N-[[(3S,4S)-4-ethoxypyrrolidin-3-yl]methyl]carbamate
CID 122163615
1,1-Dimethylethyl (3S,4R)-3-amino-4-hydroxy-1-pyrrolidinecarboxylate
CID 10798157
tert-Butyl 3-(aminomethyl)-3-hydroxy-1-pyrrolidinecarboxylate
CID 20067150
Cis-3-Amino-4-Hydroxypyrrolidine-1-Carboxylic Acid Tert-Butyl Ester
CID 50986390
tert-butyl (3S,4R)-3-hydroxy-4-methylpyrrolidine-1-carboxylate
CID 53302312

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate (CID 10584835) is tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(O)C(CN)C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is AHJZEZIYOBGVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)15-9(14)12-5-7(4-11)8(13)6-12/h7-8,13H,4-6,11H2,1-3H3.
What are the key properties of tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 10584835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).