4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid

C19H26N2O6 — CID 122027734

IUPAC4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
SMILESCOC(=O)CC1CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CCO1
InChIInChI=1S/C19H26N2O6/c1-26-18(24)12-16-13-21(9-10-27-16)19(25)20-15(7-8-17(22)23)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,20,25)(H,22,23)
InChIKeyQJBCBOCEOWSIIU-UHFFFAOYSA-N
MW378.43 g/mol
LogP1.44
Rot. Bonds8

About 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid

4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid (PubChem CID 122027734) has the molecular formula C19H26N2O6 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid.

Molecular Properties

Compound Name4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
PubChem CID122027734
Molecular FormulaC19H26N2O6
Molecular Weight378.43 g/mol
Exact Mass378.18
IUPAC Name4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid
SMILESCOC(=O)CC1CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CCO1
InChIInChI=1S/C19H26N2O6/c1-26-18(24)12-16-13-21(9-10-27-16)19(25)20-15(7-8-17(22)23)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,20,25)(H,22,23)
InChIKeyQJBCBOCEOWSIIU-UHFFFAOYSA-N
XLogP1.44
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-phenyl-4-[(2-propylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028242
5-phenyl-4-[(2-phenylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122027308
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
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-[[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]amino]-5-phenylpentanoic acid
CID 122028159
4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
5-phenyl-4-[(2,2,6,6-tetramethylmorpholine-4-carbonyl)amino]pentanoic acid
CID 122028048
(2R)-2-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-3-methylbutanoic acid
CID 115535493
4-[[2-(oxolan-2-yl)acetyl]amino]-5-phenylpentanoic acid
CID 120547201
4-[(4,4-difluoro-3-methylpiperidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027602

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid?
The IUPAC name of 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid (CID 122027734) is 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid.
What is the SMILES notation for 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid?
The canonical SMILES for 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid is COC(=O)CC1CN(C(=O)NC(CCC(=O)O)Cc2ccccc2)CCO1.
What is the InChIKey of 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid?
The InChIKey is QJBCBOCEOWSIIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O6/c1-26-18(24)12-16-13-21(9-10-27-16)19(25)20-15(7-8-17(22)23)11-14-5-3-2-4-6-14/h2-6,15-16H,7-13H2,1H3,(H,20,25)(H,22,23).
What are the key properties of 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid?
4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid has a molecular weight of 378.43 g/mol, XLogP of 1.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-methoxy-2-oxoethyl)morpholine-4-carbonyl]amino]-5-phenylpentanoic acid is sourced from PubChem (CID 122027734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).