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

C11H14ClNO3 — CID 56972006

IUPAC(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CNC[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C11H13NO3.ClH/c13-8-3-1-7(2-4-8)9-5-12-6-10(9)11(14)15;/h1-4,9-10,12-13H,5-6H2,(H,14,15);1H/t9-,10+;/m1./s1
InChIKeyFEGJNIKGVWOYLO-UXQCFNEQSA-N
MW243.69 g/mol
LogP1.20
Rot. Bonds2

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

(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride (PubChem CID 56972006) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is (3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
PubChem CID56972006
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
SMILESCl.O=C(O)[C@H]1CNC[C@@H]1c1ccc(O)cc1
InChIInChI=1S/C11H13NO3.ClH/c13-8-3-1-7(2-4-8)9-5-12-6-10(9)11(14)15;/h1-4,9-10,12-13H,5-6H2,(H,14,15);1H/t9-,10+;/m1./s1
InChIKeyFEGJNIKGVWOYLO-UXQCFNEQSA-N
XLogP1.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The IUPAC name of (3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride (CID 56972006) is (3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride.
What is the SMILES notation for (3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The canonical SMILES for (3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride is Cl.O=C(O)[C@H]1CNC[C@@H]1c1ccc(O)cc1.
What is the InChIKey of (3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
The InChIKey is FEGJNIKGVWOYLO-UXQCFNEQSA-N. The full InChI is InChI=1S/C11H13NO3.ClH/c13-8-3-1-7(2-4-8)9-5-12-6-10(9)11(14)15;/h1-4,9-10,12-13H,5-6H2,(H,14,15);1H/t9-,10+;/m1./s1.
What are the key properties of (3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride?
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride has a molecular weight of 243.69 g/mol, XLogP of 1.20, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 56972006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).