trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid

C22H23NO4 — CID 1150738

IUPACtrans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1
InChIInChI=1S/C22H23NO4/c24-21(23-11-13-27-14-12-23)19-17(15-7-3-1-4-8-15)20(22(25)26)18(19)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2,(H,25,26)/t17-,18-,19?,20?/m1/s1
InChIKeyFMUMEDHFYUKQRJ-UVHRUJRTSA-N
MW365.43 g/mol
LogP2.74
Rot. Bonds4

About trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid

trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid (PubChem CID 1150738) has the molecular formula C22H23NO4 and a molecular weight of 365.43 g/mol. Its IUPAC name is trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid.

Molecular Properties

Compound Nametrans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
PubChem CID1150738
Molecular FormulaC22H23NO4
Molecular Weight365.43 g/mol
Exact Mass365.16
IUPAC Nametrans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid
SMILESO=C(O)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1
InChIInChI=1S/C22H23NO4/c24-21(23-11-13-27-14-12-23)19-17(15-7-3-1-4-8-15)20(22(25)26)18(19)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2,(H,25,26)/t17-,18-,19?,20?/m1/s1
InChIKeyFMUMEDHFYUKQRJ-UVHRUJRTSA-N
XLogP2.74
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 646595
[(1S,2R,3S)-2-(hydroxymethyl)-3-phenylcyclopropyl]-morpholin-4-ylmethanone
CID 23256387
N-[(4-methylphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide
CID 6618330
(1R,2S,3S,4R)-3-(morpholine-4-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124713500
3-(morpholine-4-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 3151273
morpholin-4-yl-(4-phenylpiperidin-1-yl)methanone
CID 67308530
[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-(4-phenylpiperidin-1-yl)methanone
CID 136583837
1-[2-(morpholine-4-carbonyl)cyclopropyl]-3-phenylcyclobutane-1-carboxylic acid
CID 163448109
(1R,4S)-3-(morpholine-4-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 59351952
morpholin-4-yl-(5-phenylpiperidin-3-yl)methanone
CID 166794041
(1S,2R,3S,4S)-3-(4-phenylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98135485
trans-(2S,4S)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxamide
CID 135915941

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The IUPAC name of trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid (CID 1150738) is trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid.
What is the SMILES notation for trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The canonical SMILES for trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid is O=C(O)C1[C@H](c2ccccc2)C(C(=O)N2CCOCC2)[C@H]1c1ccccc1.
What is the InChIKey of trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
The InChIKey is FMUMEDHFYUKQRJ-UVHRUJRTSA-N. The full InChI is InChI=1S/C22H23NO4/c24-21(23-11-13-27-14-12-23)19-17(15-7-3-1-4-8-15)20(22(25)26)18(19)16-9-5-2-6-10-16/h1-10,17-20H,11-14H2,(H,25,26)/t17-,18-,19?,20?/m1/s1.
What are the key properties of trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid?
trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid has a molecular weight of 365.43 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4R)-3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylic acid is sourced from PubChem (CID 1150738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).