(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid

C17H23NO5 — CID 91162995

IUPAC(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
SMILESO=C(O)[C@@H](CCCc1ccccc1)[C@@H](O)C(=O)N1CCOCC1
InChIInChI=1S/C17H23NO5/c19-15(16(20)18-9-11-23-12-10-18)14(17(21)22)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-15,19H,4,7-12H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyANIJYWMDEZLJPC-LSDHHAIUSA-N
MW321.37 g/mol
LogP0.93
Rot. Bonds7

About (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid

(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid (PubChem CID 91162995) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
PubChem CID91162995
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
SMILESO=C(O)[C@@H](CCCc1ccccc1)[C@@H](O)C(=O)N1CCOCC1
InChIInChI=1S/C17H23NO5/c19-15(16(20)18-9-11-23-12-10-18)14(17(21)22)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-15,19H,4,7-12H2,(H,21,22)/t14-,15+/m0/s1
InChIKeyANIJYWMDEZLJPC-LSDHHAIUSA-N
XLogP0.93
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate
CID 69434740
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
(2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-fluoro-2-morpholin-4-yl-2-oxoethyl]pentanoic acid
CID 71207638
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
3-methyl-2-[(2-methyl-4-phenylbutyl)amino]-1-morpholin-4-ylbutan-1-one
CID 71905762
(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
CID 97077433
7-(4-chlorophenyl)-2-(morpholine-4-carbonyl)heptanoic acid;7-(4-chlorophenyl)-2-(4-phenylpiperazine-1-carbonyl)heptanoic acid
CID 160947593
(3S)-3-amino-1-morpholin-4-yl-5-phenylpentan-1-one
CID 59325114
1-morpholin-4-yl-2-[4-(3-phenylpropyl)piperazin-1-yl]ethanone
CID 47014088
3-morpholin-4-yl-3-oxo-N-(3-phenylpropyl)propanamide
CID 108943481

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid?
The IUPAC name of (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid (CID 91162995) is (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid.
What is the SMILES notation for (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid?
The canonical SMILES for (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid is O=C(O)[C@@H](CCCc1ccccc1)[C@@H](O)C(=O)N1CCOCC1.
What is the InChIKey of (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid?
The InChIKey is ANIJYWMDEZLJPC-LSDHHAIUSA-N. The full InChI is InChI=1S/C17H23NO5/c19-15(16(20)18-9-11-23-12-10-18)14(17(21)22)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,14-15,19H,4,7-12H2,(H,21,22)/t14-,15+/m0/s1.
What are the key properties of (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid?
(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid has a molecular weight of 321.37 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid is sourced from PubChem (CID 91162995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).