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

C11H13NO3 — CID 2762183

IUPAC(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C11H13NO3/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)/t9-,10+/m0/s1
InChIKeyIJVDKAOETNQRCC-VHSXEESVSA-N
MW207.23 g/mol
LogP0.78
Rot. Bonds2

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

(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 2762183) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID2762183
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CNC[C@H]1c1ccc(O)cc1
InChIInChI=1S/C11H13NO3/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)/t9-,10+/m0/s1
InChIKeyIJVDKAOETNQRCC-VHSXEESVSA-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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Related Compounds

Surinamine
CID 68309
Deesterified lactam
CID 12858703
(S)-(4-Hydroxy-phenyl)-(S)-piperidin-2-yl-acetic acid methyl ester
CID 10332290
methyl (2R)-2-(4-hydroxyphenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 3045249
methyl (2S)-2-(4-hydroxyphenyl)-2-[(2S)-piperidin-2-yl]acetate;hydrochloride
CID 45259413
3-Amino-4-(4-hydroxyphenyl)butyric Acid
CID 3605157
Tyrosine, beta-methyl-
CID 65530
(3S)-3-amino-4-(4-hydroxyphenyl)butanoic acid
CID 2761554
(2S,3S,4S)-2-Carboxy-4-(2-hydroxyphenyl)-3-pyrrolidineacetic acid
CID 3035614
4-Amino-3-(4-hydroxyphenyl)butanoic acid
CID 12261848
N-Methyltyrosine
CID 519723
4-(Pyrrolidin-3-yl)phenol hydrobromide
CID 91623789

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid (CID 2762183) is (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CNC[C@H]1c1ccc(O)cc1.
What is the InChIKey of (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IJVDKAOETNQRCC-VHSXEESVSA-N. The full InChI is InChI=1S/C11H13NO3/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)/t9-,10+/m0/s1.
What are the key properties of (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid?
(3S,4R)-4-(4-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 (3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 2762183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).