(2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C19H19NO5 — CID 12941212

IUPAC(2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)(c2ccccc2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-17(22)16-11-19(24,15-9-5-2-6-10-15)13-20(16)18(23)25-12-14-7-3-1-4-8-14/h1-10,16,24H,11-13H2,(H,21,22)/t16-,19?/m0/s1
InChIKeyUVQIINNUDGODDS-UCFFOFKASA-N
MW341.36 g/mol
LogP2.37
Rot. Bonds4

About (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 12941212) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID12941212
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name(2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CC(O)(c2ccccc2)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C19H19NO5/c21-17(22)16-11-19(24,15-9-5-2-6-10-15)13-20(16)18(23)25-12-14-7-3-1-4-8-14/h1-10,16,24H,11-13H2,(H,21,22)/t16-,19?/m0/s1
InChIKeyUVQIINNUDGODDS-UCFFOFKASA-N
XLogP2.37
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-hydroxy-4-naphthalen-2-yl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 22817592
(2S)-4-hydroxy-4-(1-phenylethyl)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70543546
(3R)-2-phenylmethoxycarbonyl-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 155904367
benzyl 3-hydroxy-3-phenylpyrrolidine-1-carboxylate
CID 14127359
benzyl (2S)-2-carbamoyl-4,4-difluoropyrrolidine-1-carboxylate
CID 58786847
1-O-benzyl 2-O-methyl 4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 21054036
1-O-benzyl 2-O-methyl (2R)-4,4-difluoropyrrolidine-1,2-dicarboxylate
CID 95180475
(2R)-4-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 34176386
(4S)-3-phenylmethoxycarbonyl-1,3-oxazolidine-4-carboxylic acid
CID 688328
(2R,4S)-1-phenylmethoxycarbonylpyrrolidine-2,4-dicarboxylic acid
CID 18391508
benzyl (2S)-4,4-difluoro-2-(N'-hydroxycarbamimidoyl)pyrrolidine-1-carboxylate
CID 86609167
1-O-(cyclohexa-1,5-dien-1-ylmethyl) 2-O-methyl (2S,4R)-4-hydroxy-4-(4-phenylphenyl)pyrrolidine-1,2-dicarboxylate
CID 70299799

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 12941212) is (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CC(O)(c2ccccc2)CN1C(=O)OCc1ccccc1.
What is the InChIKey of (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is UVQIINNUDGODDS-UCFFOFKASA-N. The full InChI is InChI=1S/C19H19NO5/c21-17(22)16-11-19(24,15-9-5-2-6-10-15)13-20(16)18(23)25-12-14-7-3-1-4-8-14/h1-10,16,24H,11-13H2,(H,21,22)/t16-,19?/m0/s1.
What are the key properties of (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 341.36 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-4-phenyl-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 12941212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).