cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid

C21H23NO3 — CID 164632015

IUPACcis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)NC(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H23NO3/c23-20(17-11-12-18(14-17)21(24)25)22-19(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2,(H,22,23)(H,24,25)/t17-,18+,19?/m1/s1
InChIKeyWKDDYLNHPXSGPO-YTYFACEESA-N
MW337.42 g/mol
LogP3.59
Rot. Bonds6

About cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid

cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid (PubChem CID 164632015) has the molecular formula C21H23NO3 and a molecular weight of 337.42 g/mol. Its IUPAC name is cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid
PubChem CID164632015
Molecular FormulaC21H23NO3
Molecular Weight337.42 g/mol
Exact Mass337.17
IUPAC Namecis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@H]1CC[C@@H](C(=O)NC(Cc2ccccc2)c2ccccc2)C1
InChIInChI=1S/C21H23NO3/c23-20(17-11-12-18(14-17)21(24)25)22-19(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2,(H,22,23)(H,24,25)/t17-,18+,19?/m1/s1
InChIKeyWKDDYLNHPXSGPO-YTYFACEESA-N
XLogP3.59
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Phenyl-3-phenylacetylamino-propionic acid
CID 3102733
1,2,2-Trimethyl-3-[(1-phenylethyl)carbamoyl]cyclopentanecarboxylic acid
CID 2827273
3-({[1-(4-Methylphenyl)propyl]amino}carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 6465606
(2R,4S)-5-Biphenyl-4-yl-4-(4-carboxy-butyrylamino)-2-methyl-pentanoic acid
CID 11741513
2-Benzyl-4-(2-carboxy-ethylcarbamoyl)-5-phenyl-pentanoic acid
CID 14557662
2-Benzyl-4-(1-carboxy-ethylcarbamoyl)-5-phenyl-pentanoic acid
CID 14557663
2-Benzyl-4-(carboxymethyl-carbamoyl)-5-phenyl-pentanoic acid
CID 14557666
2-Benzyl-4-(3-carboxy-propylcarbamoyl)-5-phenyl-pentanoic acid
CID 14557668
4-(2-Carboxy-ethylcarbamoyl)-2-phenethyl-6-phenyl-hexanoic acid
CID 14557712
N-Benzylglutaramic acid
CID 3605536
1-Benzyl-6-oxo-2-phenylpiperidine-3-carboxylic acid
CID 13772099
N-benzhydrylcyclopentanecarboxamide
CID 844995

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The IUPAC name of cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid (CID 164632015) is cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid is O=C(O)[C@H]1CC[C@@H](C(=O)NC(Cc2ccccc2)c2ccccc2)C1.
What is the InChIKey of cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid?
The InChIKey is WKDDYLNHPXSGPO-YTYFACEESA-N. The full InChI is InChI=1S/C21H23NO3/c23-20(17-11-12-18(14-17)21(24)25)22-19(16-9-5-2-6-10-16)13-15-7-3-1-4-8-15/h1-10,17-19H,11-14H2,(H,22,23)(H,24,25)/t17-,18+,19?/m1/s1.
What are the key properties of cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid?
cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid has a molecular weight of 337.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-(1,2-diphenylethylcarbamoyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 164632015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).