3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid

C10H20N2O3 — CID 68576988

IUPAC3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1C(CN)C(O)CN1C(=O)O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)8-6(4-11)7(13)5-12(8)9(14)15/h6-8,13H,4-5,11H2,1-3H3,(H,14,15)
InChIKeyVHOQQLBBKCSRRB-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.33
Rot. Bonds1

About 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid

3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid (PubChem CID 68576988) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
PubChem CID68576988
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid
SMILESCC(C)(C)C1C(CN)C(O)CN1C(=O)O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)8-6(4-11)7(13)5-12(8)9(14)15/h6-8,13H,4-5,11H2,1-3H3,(H,14,15)
InChIKeyVHOQQLBBKCSRRB-UHFFFAOYSA-N
XLogP0.33
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid (CID 68576988) is 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid is CC(C)(C)C1C(CN)C(O)CN1C(=O)O.
What is the InChIKey of 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid?
The InChIKey is VHOQQLBBKCSRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)8-6(4-11)7(13)5-12(8)9(14)15/h6-8,13H,4-5,11H2,1-3H3,(H,14,15).
What are the key properties of 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid?
3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 0.33, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2-tert-butyl-4-hydroxypyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68576988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).