tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate

C22H30N2O7 — CID 58290546

IUPACtert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate
SMILESCO[C@H]1CCN(C(=O)c2cccc(N3CCO[C@H]([C@@H](O)C(=O)OC(C)(C)C)C3=O)c2)C1
InChIInChI=1S/C22H30N2O7/c1-22(2,3)31-21(28)17(25)18-20(27)24(10-11-30-18)15-7-5-6-14(12-15)19(26)23-9-8-16(13-23)29-4/h5-7,12,16-18,25H,8-11,13H2,1-4H3/t16-,17+,18+/m0/s1
InChIKeyVDPMFRMPSPMCMR-RCCFBDPRSA-N
MW434.49 g/mol
LogP0.98
Rot. Bonds5

About tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate

tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate (PubChem CID 58290546) has the molecular formula C22H30N2O7 and a molecular weight of 434.49 g/mol. Its IUPAC name is tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate.

Molecular Properties

Compound Nametert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate
PubChem CID58290546
Molecular FormulaC22H30N2O7
Molecular Weight434.49 g/mol
Exact Mass434.21
IUPAC Nametert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate
SMILESCO[C@H]1CCN(C(=O)c2cccc(N3CCO[C@H]([C@@H](O)C(=O)OC(C)(C)C)C3=O)c2)C1
InChIInChI=1S/C22H30N2O7/c1-22(2,3)31-21(28)17(25)18-20(27)24(10-11-30-18)15-7-5-6-14(12-15)19(26)23-9-8-16(13-23)29-4/h5-7,12,16-18,25H,8-11,13H2,1-4H3/t16-,17+,18+/m0/s1
InChIKeyVDPMFRMPSPMCMR-RCCFBDPRSA-N
XLogP0.98
TPSA105.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

tert-butyl (2R)-2-[(2R)-4-[3-[(2R,5R)-2,5-dimethylpyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 58181599
(2R)-N-(1-amino-3H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
CID 50997176
(2R)-N-(1-amino-2H-isoindol-5-yl)-2-hydroxy-2-[(2R)-4-[3-[(3R)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetamide
CID 123243136
tert-butyl 2-hydroxy-2-[(2R)-3-oxo-4-[3-(3-oxomorpholin-4-yl)phenyl]morpholin-2-yl]acetate
CID 67222708
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[methyl-(2-morpholin-4-yl-2-oxoethyl)carbamoyl]phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290515
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-(2-morpholin-4-yl-2-oxoethyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 58290529
tert-butyl (2R)-2-hydroxy-2-[(2R)-3-oxo-4-(3-phenylmethoxyphenyl)morpholin-2-yl]acetate
CID 58290450
tert-butyl 2-hydroxy-2-[4-[4-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetate
CID 76717019
methyl 3-[(2R)-2-[(1R)-1-acetyloxy-2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-3-oxomorpholin-4-yl]benzoate
CID 58181770
N-(4-aminophenyl)-2-hydroxy-2-[(2R)-4-[3-(morpholine-4-carbonyl)phenyl]-3-oxomorpholin-2-yl]acetamide
CID 140633327
tert-butyl 2-[4-[4-fluoro-3-(oxan-4-yloxy)phenyl]-3-oxomorpholin-2-yl]-2-hydroxyacetate
CID 76743059
(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 tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate?
The IUPAC name of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate (CID 58290546) is tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate.
What is the SMILES notation for tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate?
The canonical SMILES for tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate is CO[C@H]1CCN(C(=O)c2cccc(N3CCO[C@H]([C@@H](O)C(=O)OC(C)(C)C)C3=O)c2)C1.
What is the InChIKey of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate?
The InChIKey is VDPMFRMPSPMCMR-RCCFBDPRSA-N. The full InChI is InChI=1S/C22H30N2O7/c1-22(2,3)31-21(28)17(25)18-20(27)24(10-11-30-18)15-7-5-6-14(12-15)19(26)23-9-8-16(13-23)29-4/h5-7,12,16-18,25H,8-11,13H2,1-4H3/t16-,17+,18+/m0/s1.
What are the key properties of tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate?
tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate has a molecular weight of 434.49 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-hydroxy-2-[(2R)-4-[3-[(3S)-3-methoxypyrrolidine-1-carbonyl]phenyl]-3-oxomorpholin-2-yl]acetate is sourced from PubChem (CID 58290546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).