cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid

C20H19NO5 — CID 7262140

IUPACcis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)CNC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO5/c22-14(23)11-21-19(24)17-15(12-7-3-1-4-8-12)18(20(25)26)16(17)13-9-5-2-6-10-13/h1-10,15-18H,11H2,(H,21,24)(H,22,23)(H,25,26)/t15-,16+,17?,18?
InChIKeyGFPKMPHIPGSJCZ-OQSMONGASA-N
MW353.37 g/mol
LogP2.09
Rot. Bonds6

About cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid

cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid (PubChem CID 7262140) has the molecular formula C20H19NO5 and a molecular weight of 353.37 g/mol. Its IUPAC name is cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Namecis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid
PubChem CID7262140
Molecular FormulaC20H19NO5
Molecular Weight353.37 g/mol
Exact Mass353.13
IUPAC Namecis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)CNC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1
InChIInChI=1S/C20H19NO5/c22-14(23)11-21-19(24)17-15(12-7-3-1-4-8-12)18(20(25)26)16(17)13-9-5-2-6-10-13/h1-10,15-18H,11H2,(H,21,24)(H,22,23)(H,25,26)/t15-,16+,17?,18?
InChIKeyGFPKMPHIPGSJCZ-OQSMONGASA-N
XLogP2.09
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(2S,3R)-N-benzyl-2,3-diphenylcyclopropane-1-carboxamide
CID 101216317
cis-(2S,4R)-3-methoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 686165
trans-(2S,4S)-3-(2-hydroxyethoxycarbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
CID 7438662
cis-(2R,4S)-2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid
CID 2275150
trans-(2R,4R)-2,4-diphenyl-3-phenylmethoxycarbonylcyclobutane-1-carboxylic acid
CID 2275154
2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 83481885
(1S,2R,3S,4R)-3-(benzylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11869079
(1S,2R,3R,4R)-3-(benzylcarbamoyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 11869081
2,4-diphenyl-1-N,3-N-bis(3-pyrrolidin-1-ylpropyl)cyclobutane-1,3-dicarboxamide;iodomethane
CID 2849414
3-butoxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 171979757
16-(benzylcarbamoyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxylic acid
CID 6611403
(2R)-3-naphthalen-1-yloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 158508632

Frequently Asked Questions

What is the IUPAC name of cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The IUPAC name of cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid (CID 7262140) is cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The canonical SMILES for cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid is O=C(O)CNC(=O)C1[C@H](c2ccccc2)C(C(=O)O)[C@@H]1c1ccccc1.
What is the InChIKey of cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The InChIKey is GFPKMPHIPGSJCZ-OQSMONGASA-N. The full InChI is InChI=1S/C20H19NO5/c22-14(23)11-21-19(24)17-15(12-7-3-1-4-8-12)18(20(25)26)16(17)13-9-5-2-6-10-13/h1-10,15-18H,11H2,(H,21,24)(H,22,23)(H,25,26)/t15-,16+,17?,18?.
What are the key properties of cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid has a molecular weight of 353.37 g/mol, XLogP of 2.09, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,4R)-3-(carboxymethylcarbamoyl)-2,4-diphenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 7262140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).