methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate

C18H25NO5 — CID 69434740

IUPACmethyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)[C@H](O)C(=O)N1CCOCC1
InChIInChI=1S/C18H25NO5/c1-23-18(22)15(9-5-8-14-6-3-2-4-7-14)16(20)17(21)19-10-12-24-13-11-19/h2-4,6-7,15-16,20H,5,8-13H2,1H3/t15?,16-/m0/s1
InChIKeyARRFONDCDPQPHQ-LYKKTTPLSA-N
MW335.40 g/mol
LogP1.02
Rot. Bonds7

About methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate

methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate (PubChem CID 69434740) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate
PubChem CID69434740
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Namemethyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate
SMILESCOC(=O)C(CCCc1ccccc1)[C@H](O)C(=O)N1CCOCC1
InChIInChI=1S/C18H25NO5/c1-23-18(22)15(9-5-8-14-6-3-2-4-7-14)16(20)17(21)19-10-12-24-13-11-19/h2-4,6-7,15-16,20H,5,8-13H2,1H3/t15?,16-/m0/s1
InChIKeyARRFONDCDPQPHQ-LYKKTTPLSA-N
XLogP1.02
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoic acid
CID 91162995
2-hydroxy-1-morpholin-4-yl-4-phenylbutan-1-one
CID 76792666
methyl 2-(1-bromoethyl)-5-phenylpentanoate
CID 175234788
2-chloro-1-morpholin-4-yl-4-phenylbutan-1-one
CID 62880416
(2S)-3-methyl-2-[[(2S)-2-methyl-4-phenylbutyl]amino]-1-morpholin-4-ylbutan-1-one
CID 97077433
3-methyl-2-[(2-methyl-4-phenylbutyl)amino]-1-morpholin-4-ylbutan-1-one
CID 71905762
methyl 2-(morpholine-4-carbonylamino)-3-phenylpropanoate
CID 3297862
methyl (2S)-5-[2-(difluoromethoxy)phenyl]-2-[(1R)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]pent-4-enoate
CID 91237383
methyl 5-[2-(difluoromethoxy)phenyl]-2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]pent-4-enoate
CID 69434019
[(2S)-1-morpholin-4-yl-1-oxo-3-phenylpropan-2-yl]azanium
CID 40562536
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
(2R)-1-morpholin-4-yl-2-phenylmethoxypropan-1-one
CID 165346158

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate?
The IUPAC name of methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate (CID 69434740) is methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate.
What is the SMILES notation for methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate?
The canonical SMILES for methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate is COC(=O)C(CCCc1ccccc1)[C@H](O)C(=O)N1CCOCC1.
What is the InChIKey of methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate?
The InChIKey is ARRFONDCDPQPHQ-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H25NO5/c1-23-18(22)15(9-5-8-14-6-3-2-4-7-14)16(20)17(21)19-10-12-24-13-11-19/h2-4,6-7,15-16,20H,5,8-13H2,1H3/t15?,16-/m0/s1.
What are the key properties of methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate?
methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate has a molecular weight of 335.40 g/mol, XLogP of 1.02, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1S)-1-hydroxy-2-morpholin-4-yl-2-oxoethyl]-5-phenylpentanoate is sourced from PubChem (CID 69434740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).