(3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid

C11H13NO3 — CID 56972010

IUPAC(3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H]1c1cccc(O)c1
InChIInChI=1S/C11H13NO3/c13-8-3-1-2-7(4-8)9-5-12-6-10(9)11(14)15/h1-4,9-10,12-13H,5-6H2,(H,14,15)/t9-,10+/m1/s1
InChIKeyPVSZHVAUFQAERY-ZJUUUORDSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds2

About (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid

(3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 56972010) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID56972010
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@H]1CNC[C@@H]1c1cccc(O)c1
InChIInChI=1S/C11H13NO3/c13-8-3-1-2-7(4-8)9-5-12-6-10(9)11(14)15/h1-4,9-10,12-13H,5-6H2,(H,14,15)/t9-,10+/m1/s1
InChIKeyPVSZHVAUFQAERY-ZJUUUORDSA-N
XLogP0.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid (CID 56972010) is (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@H]1CNC[C@@H]1c1cccc(O)c1.
What is the InChIKey of (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is PVSZHVAUFQAERY-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H13NO3/c13-8-3-1-2-7(4-8)9-5-12-6-10(9)11(14)15/h1-4,9-10,12-13H,5-6H2,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
(3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(3-hydroxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 56972010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).