(2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid

C10H19NO3 — CID 167742746

IUPAC(2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
SMILESCN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-7-5-8(9(12)13)11(4)6-7/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyJYILROAIUKFLKF-SFYZADRCSA-N
MW201.27 g/mol
LogP0.96
Rot. Bonds2

About (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid

(2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid (PubChem CID 167742746) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
PubChem CID167742746
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name(2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid
SMILESCN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-7-5-8(9(12)13)11(4)6-7/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m1/s1
InChIKeyJYILROAIUKFLKF-SFYZADRCSA-N
XLogP0.96
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid (CID 167742746) is (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid is CN1C[C@H](OC(C)(C)C)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
The InChIKey is JYILROAIUKFLKF-SFYZADRCSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-7-5-8(9(12)13)11(4)6-7/h7-8H,5-6H2,1-4H3,(H,12,13)/t7-,8+/m1/s1.
What are the key properties of (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid?
(2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid has a molecular weight of 201.27 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-methyl-4-[(2-methylpropan-2-yl)oxy]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 167742746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).