(2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid

C17H17F2NO9 — CID 67033718

IUPAC(2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCOC(=O)c1cccc(N2CCO[C@H]([C@@H](OC(C)=O)C(=O)O)C2=O)c1OC(F)F
InChIInChI=1S/C17H17F2NO9/c1-8(21)28-13(15(23)24)12-14(22)20(6-7-27-12)10-5-3-4-9(16(25)26-2)11(10)29-17(18)19/h3-5,12-13,17H,6-7H2,1-2H3,(H,23,24)/t12-,13-/m1/s1
InChIKeyMOQPVXHRHOSEQQ-CHWSQXEVSA-N
MW417.32 g/mol
LogP0.82
Rot. Bonds7

About (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid

(2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid (PubChem CID 67033718) has the molecular formula C17H17F2NO9 and a molecular weight of 417.32 g/mol. Its IUPAC name is (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name(2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid
PubChem CID67033718
Molecular FormulaC17H17F2NO9
Molecular Weight417.32 g/mol
Exact Mass417.09
IUPAC Name(2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid
SMILESCOC(=O)c1cccc(N2CCO[C@H]([C@@H](OC(C)=O)C(=O)O)C2=O)c1OC(F)F
InChIInChI=1S/C17H17F2NO9/c1-8(21)28-13(15(23)24)12-14(22)20(6-7-27-12)10-5-3-4-9(16(25)26-2)11(10)29-17(18)19/h3-5,12-13,17H,6-7H2,1-2H3,(H,23,24)/t12-,13-/m1/s1
InChIKeyMOQPVXHRHOSEQQ-CHWSQXEVSA-N
XLogP0.82
TPSA128.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.32
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 2-(difluoromethoxy)-3-[(2R)-2-[(1R)-1-hydroxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]benzoate
CID 67223177
(2R)-2-acetyloxy-2-[(2R)-4-[3-(dimethylcarbamoyl)-2-methylphenyl]-3-oxomorpholin-2-yl]acetic acid
CID 58181883
(2R)-2-acetyloxy-2-[3-oxo-4-[3-(trifluoromethoxy)phenyl]morpholin-2-yl]acetic acid
CID 67221715
(2R)-2-acetyloxy-2-[(2R)-3-oxo-4-[2-(2-oxopiperidin-1-yl)phenyl]morpholin-2-yl]acetic acid
CID 67032866
methyl 2-[2-[1-acetyloxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]-5-(trifluoromethoxy)benzoate
CID 77243342
2-acetyloxy-2-[3-oxo-4-[4-(pentafluoro-λ6-sulfanyl)phenyl]morpholin-2-yl]acetic acid
CID 76717395
(2R)-2-acetyloxy-2-[4-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid;hydrochloride
CID 130442718
methyl 3-[(2R)-2-[(1R)-1-acetyloxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]benzoate
CID 58181770
(2R)-2-acetyloxy-2-[(2R)-4-(1-cyclopropylpyrazol-3-yl)-3-oxomorpholin-2-yl]acetic acid
CID 118591198
2-acetyloxy-2-[4-[6-(1-acetyloxycyclobutyl)-2-pyridinyl]-3-oxomorpholin-2-yl]acetic acid
CID 118591141
[(1S)-1-[(2R)-4-[2-fluoro-3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]-2-oxoethyl] acetate
CID 87243683
(2R)-2-acetyloxy-2-[(2R)-4-[3-[2-[(3S)-3-methoxypyrrolidin-1-yl]-2-oxoethyl]phenyl]-3-oxomorpholin-2-yl]acetic acid
CID 58290632

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid?
The IUPAC name of (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid (CID 67033718) is (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid is COC(=O)c1cccc(N2CCO[C@H]([C@@H](OC(C)=O)C(=O)O)C2=O)c1OC(F)F.
What is the InChIKey of (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid?
The InChIKey is MOQPVXHRHOSEQQ-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H17F2NO9/c1-8(21)28-13(15(23)24)12-14(22)20(6-7-27-12)10-5-3-4-9(16(25)26-2)11(10)29-17(18)19/h3-5,12-13,17H,6-7H2,1-2H3,(H,23,24)/t12-,13-/m1/s1.
What are the key properties of (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid?
(2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid has a molecular weight of 417.32 g/mol, XLogP of 0.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetyloxy-2-[(2R)-4-[2-(difluoromethoxy)-3-methoxycarbonylphenyl]-3-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 67033718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).