(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid

C18H19NO3 — CID 141124227

IUPAC(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-15-11-16(18(21)22)19(12-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,20H,11-12H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyPBTPRHQQNCEFTA-HOTGVXAUSA-N
MW297.35 g/mol
LogP2.30
Rot. Bonds4

About (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 141124227) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID141124227
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1C[C@H](O)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H19NO3/c20-15-11-16(18(21)22)19(12-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,20H,11-12H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyPBTPRHQQNCEFTA-HOTGVXAUSA-N
XLogP2.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-hydroxy-1-(2-hydroxy-2-phenylethyl)pyrrolidine-2-carboxylic acid
CID 14472500
1-benzhydrylaziridin-2-ol
CID 22253575
methyl 4-hydroxy-1-(1-phenylethyl)pyrrolidine-2-carboxylate
CID 85397681
4-hydroxy-1-(1-phenylethylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61188920
(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol;oxalic acid
CID 67885458
(2S,4R)-4-hydroxy-1-[(2S)-1-hydroxy-3,3-dimethyl-2-(phenoxycarbonylamino)butyl]pyrrolidine-2-carboxylic acid
CID 170450837
(2S,4S)-4-hydroxy-1-tritylpyrrolidine-2-carboxylic acid
CID 15927496
methyl (2S,4R)-1-[(S)-cyano(phenyl)methyl]-4-hydroxypyrrolidine-2-carboxylate
CID 71613981
(2R)-1-benzhydryl-2-methylazetidin-3-ol
CID 135395570
(2S,3R)-1-benzhydryl-2-methylazetidin-3-ol
CID 10243988
1-(1-amino-1-oxopropan-2-yl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351300
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid (CID 141124227) is (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1C[C@H](O)CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is PBTPRHQQNCEFTA-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H19NO3/c20-15-11-16(18(21)22)19(12-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15-17,20H,11-12H2,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 297.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-benzhydryl-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 141124227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).