5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid

C13H17NO4 — CID 142668064

IUPAC5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(O)N(CC(O)c2ccccc2)C1
InChIInChI=1S/C13H17NO4/c15-11(9-4-2-1-3-5-9)8-14-7-10(13(17)18)6-12(14)16/h1-5,10-12,15-16H,6-8H2,(H,17,18)
InChIKeyIRJBYVBFUHYMTO-UHFFFAOYSA-N
MW251.28 g/mol
LogP0.44
Rot. Bonds4

About 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid

5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid (PubChem CID 142668064) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid
PubChem CID142668064
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid
SMILESO=C(O)C1CC(O)N(CC(O)c2ccccc2)C1
InChIInChI=1S/C13H17NO4/c15-11(9-4-2-1-3-5-9)8-14-7-10(13(17)18)6-12(14)16/h1-5,10-12,15-16H,6-8H2,(H,17,18)
InChIKeyIRJBYVBFUHYMTO-UHFFFAOYSA-N
XLogP0.44
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 ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 14472500
1-(2-hydroxy-2-phenylethyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63721423
1-(2,2-diphenylethyl)-5-methylpiperidine-3-carboxylic acid
CID 122125184
2-[1-(2-hydroxy-2-phenylethyl)pyrrolidin-2-yl]acetic acid
CID 61372497
1-[(2R)-2-hydroxy-2-phenylethyl]piperidine-4-carboxamide
CID 718707
(1R)-2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]-1-phenylethanol
CID 31690686
1-[1-(2-hydroxy-2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338936
4-(2-hydroxy-2-phenylethyl)morpholine-3,5-dione
CID 61328165
(3S)-1-benzhydryl-5-oxopyrrolidine-3-carboxylic acid
CID 735290
2-[1-(2-hydroxy-2-phenylethyl)piperidin-2-yl]cyclopentan-1-one
CID 79537619
4-[3-(3-hydroxy-3-phenylpropyl)anilino]cyclohexane-1-carboxylic acid
CID 122029806
(3R,8S)-8-benzhydryl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-3-carboxylic acid
CID 10385431

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid (CID 142668064) is 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid is O=C(O)C1CC(O)N(CC(O)c2ccccc2)C1.
What is the InChIKey of 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IRJBYVBFUHYMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c15-11(9-4-2-1-3-5-9)8-14-7-10(13(17)18)6-12(14)16/h1-5,10-12,15-16H,6-8H2,(H,17,18).
What are the key properties of 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid?
5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 0.44, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 142668064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).