(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid

C19H22N2O7 — CID 67032866

IUPAC(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2ccccc2N2CCCCC2=O)C1=O
InChIInChI=1S/C19H22N2O7/c1-12(22)28-17(19(25)26)16-18(24)21(10-11-27-16)14-7-3-2-6-13(14)20-9-5-4-8-15(20)23/h2-3,6-7,16-17H,4-5,8-11H2,1H3,(H,25,26)/t16-,17-/m1/s1
InChIKeyWXHPMFWXDSMXRA-IAGOWNOFSA-N
MW390.39 g/mol
LogP0.95
Rot. Bonds5

About (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid

(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid (PubChem CID 67032866) has the molecular formula C19H22N2O7 and a molecular weight of 390.39 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid
PubChem CID67032866
Molecular FormulaC19H22N2O7
Molecular Weight390.39 g/mol
Exact Mass390.14
IUPAC Name(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid
SMILESCC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2ccccc2N2CCCCC2=O)C1=O
InChIInChI=1S/C19H22N2O7/c1-12(22)28-17(19(25)26)16-18(24)21(10-11-27-16)14-7-3-2-6-13(14)20-9-5-4-8-15(20)23/h2-3,6-7,16-17H,4-5,8-11H2,1H3,(H,25,26)/t16-,17-/m1/s1
InChIKeyWXHPMFWXDSMXRA-IAGOWNOFSA-N
XLogP0.95
TPSA113.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid with MolForge

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Related Compounds

(2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid
CID 58181883
(2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid
CID 67033718
2-acetyloxy-2-[3-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-2-yl]acetic acid
CID 76717395
(2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid
CID 67221715
(2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid
CID 118591198
(2R)-2-acetyloxy-2-[4-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid;hydrochloride
CID 130442718
2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid
CID 118591141
(2R)-2-acetyloxy-2-[(2R)-4-[3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]acetic acid
CID 58290632
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetamide
CID 58290285
(3R)-4-[3-[[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]methyl]-4-cyanoanilino]-4-oxo-3-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]butanoic acid
CID 67222210
(2R)-2-(3,3-dimethylbutanoyloxy)-2-[(2R)-4-[2-(3-methoxy-3-methylbutoxy)phenyl]-3-oxomorpholin-2-yl]acetic acid
CID 67032905
[(1R)-2-(2-aminoanilino)-1-[(2R)-4-methylidenealumanyl-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
CID 144651587

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid (CID 67032866) is (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid is CC(=O)O[C@@H](C(=O)O)[C@H]1OCCN(c2ccccc2N2CCCCC2=O)C1=O.
What is the InChIKey of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid?
The InChIKey is WXHPMFWXDSMXRA-IAGOWNOFSA-N. The full InChI is InChI=1S/C19H22N2O7/c1-12(22)28-17(19(25)26)16-18(24)21(10-11-27-16)14-7-3-2-6-13(14)20-9-5-4-8-15(20)23/h2-3,6-7,16-17H,4-5,8-11H2,1H3,(H,25,26)/t16-,17-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid?
(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid has a molecular weight of 390.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid is sourced from PubChem (CID 67032866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).