(2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid

C15H21NO4 — CID 118161506

IUPAC(2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid
SMILESCC(C)c1ccc(COC2CN[C@H](C(=O)O)C2O)cc1
InChIInChI=1S/C15H21NO4/c1-9(2)11-5-3-10(4-6-11)8-20-12-7-16-13(14(12)17)15(18)19/h3-6,9,12-14,16-17H,7-8H2,1-2H3,(H,18,19)/t12?,13-,14?/m0/s1
InChIKeyJZUVTKOZHDJBRV-MOKVOYLWSA-N
MW279.34 g/mol
LogP1.11
Rot. Bonds5

About (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid

(2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid (PubChem CID 118161506) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid
PubChem CID118161506
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name(2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid
SMILESCC(C)c1ccc(COC2CN[C@H](C(=O)O)C2O)cc1
InChIInChI=1S/C15H21NO4/c1-9(2)11-5-3-10(4-6-11)8-20-12-7-16-13(14(12)17)15(18)19/h3-6,9,12-14,16-17H,7-8H2,1-2H3,(H,18,19)/t12?,13-,14?/m0/s1
InChIKeyJZUVTKOZHDJBRV-MOKVOYLWSA-N
XLogP1.11
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid (CID 118161506) is (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid is CC(C)c1ccc(COC2CN[C@H](C(=O)O)C2O)cc1.
What is the InChIKey of (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid?
The InChIKey is JZUVTKOZHDJBRV-MOKVOYLWSA-N. The full InChI is InChI=1S/C15H21NO4/c1-9(2)11-5-3-10(4-6-11)8-20-12-7-16-13(14(12)17)15(18)19/h3-6,9,12-14,16-17H,7-8H2,1-2H3,(H,18,19)/t12?,13-,14?/m0/s1.
What are the key properties of (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid?
(2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid has a molecular weight of 279.34 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-4-[(4-propan-2-ylphenyl)methoxy]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 118161506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).