methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid

C35H48N2O8 — CID 157419605

IUPACmethyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid
SMILESCOC(=O)C(CCc1ccccc1)CC(=O)CN1CCOCC1.O=C(C[C@@H](CCc1ccccc1)C(=O)O)CN1CCOCC1
InChIInChI=1S/C18H25NO4.C17H23NO4/c1-22-18(21)16(8-7-15-5-3-2-4-6-15)13-17(20)14-19-9-11-23-12-10-19;19-16(13-18-8-10-22-11-9-18)12-15(17(20)21)7-6-14-4-2-1-3-5-14/h2-6,16H,7-14H2,1H3;1-5,15H,6-13H2,(H,20,21)/t;15-/m.1/s1
InChIKeyBPGFEDTWUTWDFH-DYYGGQLPSA-N
MW624.78 g/mol
LogP3.31
Rot. Bonds16

About methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid

methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid (PubChem CID 157419605) has the molecular formula C35H48N2O8 and a molecular weight of 624.78 g/mol. Its IUPAC name is methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid.

Molecular Properties

Compound Namemethyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid
PubChem CID157419605
Molecular FormulaC35H48N2O8
Molecular Weight624.78 g/mol
Exact Mass624.34
IUPAC Namemethyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid
SMILESCOC(=O)C(CCc1ccccc1)CC(=O)CN1CCOCC1.O=C(C[C@@H](CCc1ccccc1)C(=O)O)CN1CCOCC1
InChIInChI=1S/C18H25NO4.C17H23NO4/c1-22-18(21)16(8-7-15-5-3-2-4-6-15)13-17(20)14-19-9-11-23-12-10-19;19-16(13-18-8-10-22-11-9-18)12-15(17(20)21)7-6-14-4-2-1-3-5-14/h2-6,16H,7-14H2,1H3;1-5,15H,6-13H2,(H,20,21)/t;15-/m.1/s1
InChIKeyBPGFEDTWUTWDFH-DYYGGQLPSA-N
XLogP3.31
TPSA122.68 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500624.78
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid;yttrium
CID 158647715
(2R,5S)-2-benzyl-7-methyl-5-[[(2S)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanoic acid
CID 159333568
benzyl (2S,5S)-2-benzyl-7-methyl-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanoate
CID 158055447
ethyl (2R,5S)-2-benzyl-7-methyl-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanoate
CID 167614584
(3R)-3-methoxycarbonyl-5-phenylpentanoic acid
CID 18652850
methyl 4-oxo-2-(2-phenylethyl)pentanoate
CID 100937736
benzyl (2R,5S)-5-[[(2S)-2-amino-4-phenylbutanoyl]amino]-2-benzyl-7-methyl-4-oxooctanoate;ethyl (2R,5S)-2-benzyl-7-methyl-5-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]-4-oxooctanoate
CID 167614583
(2S)-2-amino-N-[(2S)-4-methyl-1-[(2R)-2-methyloxiran-2-yl]-1-oxopentan-2-yl]-3-phenylpropanamide;bis((2S)-4-methyl-2-[[(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoyl]amino]pentanoic acid);bis(yttrium);hydrate
CID 158664312
(2S)-2-amino-N-(2-morpholin-4-ylethyl)-4-phenylbutanamide
CID 104983793
(2R)-5-morpholin-4-yl-2-(2-oxo-2-phenylmethoxyethyl)pentanoic acid
CID 147392952
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
methyl (2S)-2-[[(2R,5S)-2-(2-methylpropyl)-5-[(2-morpholin-4-ylacetyl)amino]-4-oxo-7-phenylheptanoyl]amino]-3-phenylpropanoate;sulfane
CID 161240449

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid?
The IUPAC name of methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid (CID 157419605) is methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid.
What is the SMILES notation for methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid?
The canonical SMILES for methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid is COC(=O)C(CCc1ccccc1)CC(=O)CN1CCOCC1.O=C(C[C@@H](CCc1ccccc1)C(=O)O)CN1CCOCC1.
What is the InChIKey of methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid?
The InChIKey is BPGFEDTWUTWDFH-DYYGGQLPSA-N. The full InChI is InChI=1S/C18H25NO4.C17H23NO4/c1-22-18(21)16(8-7-15-5-3-2-4-6-15)13-17(20)14-19-9-11-23-12-10-19;19-16(13-18-8-10-22-11-9-18)12-15(17(20)21)7-6-14-4-2-1-3-5-14/h2-6,16H,7-14H2,1H3;1-5,15H,6-13H2,(H,20,21)/t;15-/m.1/s1.
What are the key properties of methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid?
methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid has a molecular weight of 624.78 g/mol, XLogP of 3.31, 16 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoate;(2R)-5-morpholin-4-yl-4-oxo-2-(2-phenylethyl)pentanoic acid is sourced from PubChem (CID 157419605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).