(2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

C20H20N2O6 — CID 20757882

IUPAC(2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(OCc1ccccc1)N1CCC[C@]1(C(=O)O)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C20H20N2O6/c23-16-9-4-8-15(12-16)21-17(24)20(18(25)26)10-5-11-22(20)19(27)28-13-14-6-2-1-3-7-14/h1-4,6-9,12,23H,5,10-11,13H2,(H,21,24)(H,25,26)/t20-/m1/s1
InChIKeyRSGFOHRTLMFVDP-HXUWFJFHSA-N
MW384.39 g/mol
LogP2.59
Rot. Bonds5

About (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid

(2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (PubChem CID 20757882) has the molecular formula C20H20N2O6 and a molecular weight of 384.39 g/mol. Its IUPAC name is (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
PubChem CID20757882
Molecular FormulaC20H20N2O6
Molecular Weight384.39 g/mol
Exact Mass384.13
IUPAC Name(2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
SMILESO=C(OCc1ccccc1)N1CCC[C@]1(C(=O)O)C(=O)Nc1cccc(O)c1
InChIInChI=1S/C20H20N2O6/c23-16-9-4-8-15(12-16)21-17(24)20(18(25)26)10-5-11-22(20)19(27)28-13-14-6-2-1-3-7-14/h1-4,6-9,12,23H,5,10-11,13H2,(H,21,24)(H,25,26)/t20-/m1/s1
InChIKeyRSGFOHRTLMFVDP-HXUWFJFHSA-N
XLogP2.59
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.39
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

dibenzyl (2S)-2-carbonochloridoylpyrrolidine-1,2-dicarboxylate
CID 151279854
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
dibenzyl 2-hydroxypyrrolidine-1,2-dicarboxylate
CID 22215050
benzyl 2-hydroxy-2-(trifluoromethyl)pyrrolidine-1-carboxylate
CID 141321626
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
benzyl (2S)-2-methyl-2-(2-oxoethylcarbamoyl)pyrrolidine-1-carboxylate
CID 59548489
benzyl 2-[(2-amino-3-carbamoylphenyl)carbamoyl]-2-methylpyrrolidine-1-carboxylate
CID 25194663
benzyl 2-acetyl-2-(sulfanylmethyl)pyrrolidine-1-carboxylate
CID 23316670
benzyl 2-propan-2-yl-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126752953

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid (CID 20757882) is (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is O=C(OCc1ccccc1)N1CCC[C@]1(C(=O)O)C(=O)Nc1cccc(O)c1.
What is the InChIKey of (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
The InChIKey is RSGFOHRTLMFVDP-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H20N2O6/c23-16-9-4-8-15(12-16)21-17(24)20(18(25)26)10-5-11-22(20)19(27)28-13-14-6-2-1-3-7-14/h1-4,6-9,12,23H,5,10-11,13H2,(H,21,24)(H,25,26)/t20-/m1/s1.
What are the key properties of (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid?
(2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid has a molecular weight of 384.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3-hydroxyphenyl)carbamoyl]-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 20757882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).