3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid

C23H26N2O4 — CID 68915779

IUPAC3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(C(=O)c2ccccc2Oc2ccccc2)C2CCCC2)C1
InChIInChI=1S/C23H26N2O4/c26-22(20-12-6-7-13-21(20)29-19-10-2-1-3-11-19)25(17-8-4-5-9-17)18-14-15-24(16-18)23(27)28/h1-3,6-7,10-13,17-18H,4-5,8-9,14-16H2,(H,27,28)
InChIKeyWGJOXFFGPFFRCE-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.62
Rot. Bonds5

About 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid

3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid (PubChem CID 68915779) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid
PubChem CID68915779
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(N(C(=O)c2ccccc2Oc2ccccc2)C2CCCC2)C1
InChIInChI=1S/C23H26N2O4/c26-22(20-12-6-7-13-21(20)29-19-10-2-1-3-11-19)25(17-8-4-5-9-17)18-14-15-24(16-18)23(27)28/h1-3,6-7,10-13,17-18H,4-5,8-9,14-16H2,(H,27,28)
InChIKeyWGJOXFFGPFFRCE-UHFFFAOYSA-N
XLogP4.62
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[cyclobutylmethyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid
CID 68916441
(4-aminopiperidin-1-yl)-(2-phenoxyphenyl)methanone
CID 119373846
cyclopentyl-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 38390849
1-(2-phenoxybenzoyl)piperidine-3-carboxylic acid
CID 45429227
[3-(benzenesulfonyl)pyrrolidin-1-yl]-(2-phenoxyphenyl)methanone
CID 90584913
tert-butyl (3S)-3-[cyclohexyl-[2-(trifluoromethyl)benzoyl]amino]pyrrolidine-1-carboxylate
CID 58646901
[3-(hydroxymethyl)piperidin-1-yl]-(2-phenoxyphenyl)methanone
CID 110878410
(3S)-3-[cyclobutylmethyl-[2-(1,1-difluoroethyl)benzoyl]amino]pyrrolidine-1-carboxylic acid
CID 68918141
[4-[(dimethylamino)methyl]-4-hydroxyazepan-1-yl]-(2-phenoxyphenyl)methanone
CID 70737813
2-(4-phenoxyphenoxy)benzoate
CID 6946814
2-phenoxy-N-phenyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 11610150
2-bromo-N,N-dicyclopentylbenzamide
CID 67873213

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid (CID 68915779) is 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(N(C(=O)c2ccccc2Oc2ccccc2)C2CCCC2)C1.
What is the InChIKey of 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid?
The InChIKey is WGJOXFFGPFFRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c26-22(20-12-6-7-13-21(20)29-19-10-2-1-3-11-19)25(17-8-4-5-9-17)18-14-15-24(16-18)23(27)28/h1-3,6-7,10-13,17-18H,4-5,8-9,14-16H2,(H,27,28).
What are the key properties of 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid?
3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid has a molecular weight of 394.47 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopentyl-(2-phenoxybenzoyl)amino]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 68915779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).