2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid

C10H19NO3 — CID 174237970

IUPAC2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)C(C(C)(C)C)C1O
InChIInChI=1S/C10H19NO3/c1-6-5-11(9(13)14)8(7(6)12)10(2,3)4/h6-8,12H,5H2,1-4H3,(H,13,14)
InChIKeyYUTXSWVDKSEQRC-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.39
Rot. Bonds

About 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid

2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid (PubChem CID 174237970) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid
PubChem CID174237970
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)C(C(C)(C)C)C1O
InChIInChI=1S/C10H19NO3/c1-6-5-11(9(13)14)8(7(6)12)10(2,3)4/h6-8,12H,5H2,1-4H3,(H,13,14)
InChIKeyYUTXSWVDKSEQRC-UHFFFAOYSA-N
XLogP1.39
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid?
The IUPAC name of 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid (CID 174237970) is 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid is CC1CN(C(=O)O)C(C(C)(C)C)C1O.
What is the InChIKey of 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid?
The InChIKey is YUTXSWVDKSEQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-6-5-11(9(13)14)8(7(6)12)10(2,3)4/h6-8,12H,5H2,1-4H3,(H,13,14).
What are the key properties of 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid?
2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 1.39, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-hydroxy-4-methylpyrrolidine-1-carboxylic acid is sourced from PubChem (CID 174237970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).