methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate

C15H25NO8 — CID 45379824

IUPACmethyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate
SMILESCOC(=O)[C@@H](O)[C@@H]1OC(OC)CN([C@@H](CC(C)C)C(=O)OC)C1=O
InChIInChI=1S/C15H25NO8/c1-8(2)6-9(14(19)22-4)16-7-10(21-3)24-12(13(16)18)11(17)15(20)23-5/h8-12,17H,6-7H2,1-5H3/t9-,10?,11-,12-/m0/s1
InChIKeyOKWISPRKDDQURM-XHGCHNAGSA-N
MW347.36 g/mol
LogP-0.69
Rot. Bonds7

About methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate

methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate (PubChem CID 45379824) has the molecular formula C15H25NO8 and a molecular weight of 347.36 g/mol. Its IUPAC name is methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate
PubChem CID45379824
Molecular FormulaC15H25NO8
Molecular Weight347.36 g/mol
Exact Mass347.16
IUPAC Namemethyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate
SMILESCOC(=O)[C@@H](O)[C@@H]1OC(OC)CN([C@@H](CC(C)C)C(=O)OC)C1=O
InChIInChI=1S/C15H25NO8/c1-8(2)6-9(14(19)22-4)16-7-10(21-3)24-12(13(16)18)11(17)15(20)23-5/h8-12,17H,6-7H2,1-5H3/t9-,10?,11-,12-/m0/s1
InChIKeyOKWISPRKDDQURM-XHGCHNAGSA-N
XLogP-0.69
TPSA111.60 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate with MolForge

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Launch Full Analysis

Related Compounds

methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate
CID 611542
methyl (2S)-2-[(3S)-3-amino-5-methyl-2-oxopyrrolidin-1-yl]-4-methylpentanoate
CID 169191961
methyl (2S)-4-methyl-2-(2,4,6-trioxo-1,3,5-triazinan-1-yl)pentanoate
CID 100968870
tert-butyl (3R)-1-[(2S)-1-methoxy-4-methyl-1-oxopentan-2-yl]-2,5-dioxopyrrolidine-3-carboxylate
CID 101032549
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 69153165
methyl 2-(6-fluoro-2-oxo-1,4-dihydroquinazolin-3-yl)-4-methylpentanoate
CID 171497217
methyl (2S)-2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxoazepan-1-yl]-4-methylpentanoate
CID 10647053
methyl 2-(5,8-dimethoxy-3-oxo-1,9-dihydrochromeno[2,3-c]pyrrol-2-yl)-4-methylpentanoate
CID 67521294
methyl (2S)-2-[3-[4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]phenoxy]-5-oxo-2H-pyrrol-1-yl]-4-methylpentanoate
CID 66899367
methyl (2S)-4-methyl-2-[3-oxo-7-(trifluoromethyl)-1H-isoindol-2-yl]pentanoate
CID 70944914
methyl (2S)-2-[3-(3-methoxyphenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanoate
CID 66893466
methyl (2S)-2-(5-aminotetrazol-1-yl)-4-methylpentanoate
CID 71606975

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate?
The IUPAC name of methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate (CID 45379824) is methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate.
What is the SMILES notation for methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate?
The canonical SMILES for methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate is COC(=O)[C@@H](O)[C@@H]1OC(OC)CN([C@@H](CC(C)C)C(=O)OC)C1=O.
What is the InChIKey of methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate?
The InChIKey is OKWISPRKDDQURM-XHGCHNAGSA-N. The full InChI is InChI=1S/C15H25NO8/c1-8(2)6-9(14(19)22-4)16-7-10(21-3)24-12(13(16)18)11(17)15(20)23-5/h8-12,17H,6-7H2,1-5H3/t9-,10?,11-,12-/m0/s1.
What are the key properties of methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate?
methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate has a molecular weight of 347.36 g/mol, XLogP of -0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-[(2S)-2-[(1S)-1-hydroxy-2-methoxy-2-oxoethyl]-6-methoxy-3-oxomorpholin-4-yl]-4-methylpentanoate is sourced from PubChem (CID 45379824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).