2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid

C10H20N2O3 — CID 122590906

IUPAC2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid
SMILESCNC1CN(C(=O)O)C(C(C)(C)C)C1O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)8-7(13)6(11-4)5-12(8)9(14)15/h6-8,11,13H,5H2,1-4H3,(H,14,15)
InChIKeyVCUPPCXVGNMMPZ-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.34
Rot. Bonds1

About 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid

2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid (PubChem CID 122590906) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid
PubChem CID122590906
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Name2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid
SMILESCNC1CN(C(=O)O)C(C(C)(C)C)C1O
InChIInChI=1S/C10H20N2O3/c1-10(2,3)8-7(13)6(11-4)5-12(8)9(14)15/h6-8,11,13H,5H2,1-4H3,(H,14,15)
InChIKeyVCUPPCXVGNMMPZ-UHFFFAOYSA-N
XLogP0.34
TPSA72.80 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 ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid (CID 122590906) is 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid is CNC1CN(C(=O)O)C(C(C)(C)C)C1O.
What is the InChIKey of 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid?
The InChIKey is VCUPPCXVGNMMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-10(2,3)8-7(13)6(11-4)5-12(8)9(14)15/h6-8,11,13H,5H2,1-4H3,(H,14,15).
What are the key properties of 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid?
2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid has a molecular weight of 216.28 g/mol, XLogP of 0.34, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-hydroxy-4-(methylamino)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 122590906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).