phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate

C18H18N2O4 — CID 684625

IUPACphenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1
InChIInChI=1S/C18H18N2O4/c21-14-11-16(17(22)19-13-7-3-1-4-8-13)20(12-14)18(23)24-15-9-5-2-6-10-15/h1-10,14,16,21H,11-12H2,(H,19,22)/t14-,16+/m1/s1
InChIKeyJXMWMOWGPBFZKR-ZBFHGGJFSA-N
MW326.35 g/mol
LogP2.26
Rot. Bonds3

About phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate

phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 684625) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namephenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID684625
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Namephenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1
InChIInChI=1S/C18H18N2O4/c21-14-11-16(17(22)19-13-7-3-1-4-8-13)20(12-14)18(23)24-15-9-5-2-6-10-15/h1-10,14,16,21H,11-12H2,(H,19,22)/t14-,16+/m1/s1
InChIKeyJXMWMOWGPBFZKR-ZBFHGGJFSA-N
XLogP2.26
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

phenyl 2-[(4-bromophenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 3112485
phenyl (2S,4R)-4-hydroxy-2-[(4-phenyldiazenylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 126189043
phenyl (2S,4R)-4-hydroxy-2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 691779
phenyl (2S,4S)-2-[(3,5-dimethylphenyl)carbamoyl]-4-hydroxypyrrolidine-1-carboxylate
CID 1120674
(2S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 61143134
(2S,4S)-4-hydroxy-1-phenoxycarbonylpyrrolidine-2-carboxylic acid
CID 683631
phenyl 4-hydroxy-2-[(2-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 559843
tert-butyl (2S,4S)-4-hydroxy-2-[(4-phenoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 70176092
phenyl (2S,4S)-4-hydroxy-2-(2-methoxyethylcarbamoyl)pyrrolidine-1-carboxylate
CID 126010367
phenyl (2S,4R)-4-hydroxy-2-[(2-methyl-5-nitrophenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1241058
benzyl (2S,4S)-4-hydroxy-2-[(4-methoxyphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 1279403
diphenyl (2S,5R)-5-hydroxypiperidine-1,2-dicarboxylate
CID 139799318

Frequently Asked Questions

What is the IUPAC name of phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate (CID 684625) is phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate is O=C(Nc1ccccc1)[C@@H]1C[C@@H](O)CN1C(=O)Oc1ccccc1.
What is the InChIKey of phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is JXMWMOWGPBFZKR-ZBFHGGJFSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-14-11-16(17(22)19-13-7-3-1-4-8-13)20(12-14)18(23)24-15-9-5-2-6-10-15/h1-10,14,16,21H,11-12H2,(H,19,22)/t14-,16+/m1/s1.
What are the key properties of phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate?
phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 326.35 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (2S,4R)-4-hydroxy-2-(phenylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 684625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).