5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid

C22H26N2O4 — CID 122027308

IUPAC5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H26N2O4/c25-21(26)12-11-19(15-17-7-3-1-4-8-17)23-22(27)24-13-14-28-20(16-24)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,23,27)(H,25,26)
InChIKeyWURFGHFCSVVYKN-UHFFFAOYSA-N
MW382.46 g/mol
LogP3.25
Rot. Bonds7

About 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid

5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid (PubChem CID 122027308) has the molecular formula C22H26N2O4 and a molecular weight of 382.46 g/mol. Its IUPAC name is 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
PubChem CID122027308
Molecular FormulaC22H26N2O4
Molecular Weight382.46 g/mol
Exact Mass382.19
IUPAC Name5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
SMILESO=C(O)CCC(Cc1ccccc1)NC(=O)N1CCOC(c2ccccc2)C1
InChIInChI=1S/C22H26N2O4/c25-21(26)12-11-19(15-17-7-3-1-4-8-17)23-22(27)24-13-14-28-20(16-24)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,23,27)(H,25,26)
InChIKeyWURFGHFCSVVYKN-UHFFFAOYSA-N
XLogP3.25
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028242
4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
CID 122027734
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
methyl 3-phenyl-2-[(2-phenylmorpholine-4-carbonyl)amino]propanoate
CID 74662394
5-phenyl-4-[(2-propan-2-yl-1,4-oxazepane-4-carbonyl)amino]pentanoic acid
CID 122027508
4-[[4-(oxolan-2-yl)piperidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028037
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonylamino)-5-phenylpentanoic acid
CID 122027700
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[(7-methyl-1,4-thiazepane-4-carbonyl)amino]-5-phenylpentanoic acid
CID 122027990
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
4-[(5-oxo-1,4-diazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027125

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid?
The IUPAC name of 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid (CID 122027308) is 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid?
The canonical SMILES for 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid is O=C(O)CCC(Cc1ccccc1)NC(=O)N1CCOC(c2ccccc2)C1.
What is the InChIKey of 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid?
The InChIKey is WURFGHFCSVVYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4/c25-21(26)12-11-19(15-17-7-3-1-4-8-17)23-22(27)24-13-14-28-20(16-24)18-9-5-2-6-10-18/h1-10,19-20H,11-16H2,(H,23,27)(H,25,26).
What are the key properties of 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid?
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid has a molecular weight of 382.46 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 122027308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).