4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid

C13H17NO4 — CID 14472500

IUPAC4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1CC(O)c1ccccc1
InChIInChI=1S/C13H17NO4/c15-10-6-11(13(17)18)14(7-10)8-12(16)9-4-2-1-3-5-9/h1-5,10-12,15-16H,6-8H2,(H,17,18)
InChIKeyBEHKTOMARLIXPS-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.24
Rot. Bonds4

About 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid

4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid (PubChem CID 14472500) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid
PubChem CID14472500
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CC(O)CN1CC(O)c1ccccc1
InChIInChI=1S/C13H17NO4/c15-10-6-11(13(17)18)14(7-10)8-12(16)9-4-2-1-3-5-9/h1-5,10-12,15-16H,6-8H2,(H,17,18)
InChIKeyBEHKTOMARLIXPS-UHFFFAOYSA-N
XLogP0.24
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid
CID 142668064
(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
CID 141124227
4-hydroxy-1-(naphthalen-1-ylmethyl)pyrrolidine-2-carboxylic acid
CID 114351359
1-[[2-(difluoromethoxy)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351798
1-[(2-ethoxyphenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351656
1-(2-hydroxy-2-phenylethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721423
4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61188920
4-hydroxy-1-[2-nitroso-3-oxo-3-(thiophen-2-ylmethoxy)propyl]pyrrolidine-2-carboxylic acid
CID 91448561
1-(2-fluoroethyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351489
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 114351745
(2S,4R)-1-[(3,4-difluorophenyl)methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 67774272
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid (CID 14472500) is 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CC(O)CN1CC(O)c1ccccc1.
What is the InChIKey of 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BEHKTOMARLIXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-10-6-11(13(17)18)14(7-10)8-12(16)9-4-2-1-3-5-9/h1-5,10-12,15-16H,6-8H2,(H,17,18).
What are the key properties of 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid?
4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 14472500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).