4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid

C26H24N2O6 — CID 175438650

IUPAC4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CC(Oc2ccccc2)CC1C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H24N2O6/c29-24(28-17-22(15-23(28)26(31)32)34-20-9-5-2-6-10-20)16-27-25(30)18-11-13-21(14-12-18)33-19-7-3-1-4-8-19/h1-14,22-23H,15-17H2,(H,27,30)(H,31,32)
InChIKeyQQYYGUFNIXDXSU-UHFFFAOYSA-N
MW460.49 g/mol
LogP3.34
Rot. Bonds8

About 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid

4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid (PubChem CID 175438650) has the molecular formula C26H24N2O6 and a molecular weight of 460.49 g/mol. Its IUPAC name is 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
PubChem CID175438650
Molecular FormulaC26H24N2O6
Molecular Weight460.49 g/mol
Exact Mass460.16
IUPAC Name4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
SMILESO=C(NCC(=O)N1CC(Oc2ccccc2)CC1C(=O)O)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H24N2O6/c29-24(28-17-22(15-23(28)26(31)32)34-20-9-5-2-6-10-20)16-27-25(30)18-11-13-21(14-12-18)33-19-7-3-1-4-8-19/h1-14,22-23H,15-17H2,(H,27,30)(H,31,32)
InChIKeyQQYYGUFNIXDXSU-UHFFFAOYSA-N
XLogP3.34
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.49
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-hydroxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 175438606
4-cyclopropyloxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 175926869
(2S)-4-(difluoromethylidene)-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 163226671
(2S,4R)-4-fluoro-4-(methoxymethyl)-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid
CID 163226255
(2S,4R)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 170299427
(2S,4S)-1-methyl-4-phenoxypyrrolidine-2-carboxylic acid
CID 58778842
N-[2-[(3S)-3-hydroxypiperidin-1-yl]-2-oxoethyl]-4-phenoxybenzamide
CID 30580744
(2S,4R)-1-[2-(9H-carbazole-3-carbonylamino)acetyl]-4-(difluoromethoxy)pyrrolidine-2-carboxylic acid
CID 170298537
(2S,4S)-4-(4-methoxyphenoxy)-1-(2-sulfanylacetyl)pyrrolidine-2-carboxylic acid
CID 22819370
N-[2-(4-chloropiperazin-1-yl)-2-oxoethyl]-4-phenoxybenzamide
CID 88975994
(2S,4S)-N-[(4-carbamimidoylthiophen-2-yl)methyl]-4-(2-methylphenoxy)-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxamide
CID 159761305
7-[2-[(4-phenoxybenzoyl)amino]acetyl]-1,4-dioxa-7-azaspiro[4.4]nonane-8-carboxamide
CID 175689140

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid (CID 175438650) is 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid is O=C(NCC(=O)N1CC(Oc2ccccc2)CC1C(=O)O)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QQYYGUFNIXDXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O6/c29-24(28-17-22(15-23(28)26(31)32)34-20-9-5-2-6-10-20)16-27-25(30)18-11-13-21(14-12-18)33-19-7-3-1-4-8-19/h1-14,22-23H,15-17H2,(H,27,30)(H,31,32).
What are the key properties of 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid?
4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid has a molecular weight of 460.49 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-1-[2-[(4-phenoxybenzoyl)amino]acetyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 175438650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).