benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

C24H33NO7 — CID 11442242

IUPACbenzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1OC(C)(C)N(C(=O)OCc2ccccc2)[C@H]1[C@@](C)(O)[C@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C24H33NO7/c1-16-18(23(4,28)19-20(26)32-24(31-19)13-9-6-10-14-24)25(22(2,3)30-16)21(27)29-15-17-11-7-5-8-12-17/h5,7-8,11-12,16,18-19,28H,6,9-10,13-15H2,1-4H3/t16-,18+,19-,23+/m0/s1
InChIKeyCAYXKFWNRZNHEF-QYUDBREXSA-N
MW447.53 g/mol
LogP3.50
Rot. Bonds4

About benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate

benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (PubChem CID 11442242) has the molecular formula C24H33NO7 and a molecular weight of 447.53 g/mol. Its IUPAC name is benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
PubChem CID11442242
Molecular FormulaC24H33NO7
Molecular Weight447.53 g/mol
Exact Mass447.23
IUPAC Namebenzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate
SMILESC[C@@H]1OC(C)(C)N(C(=O)OCc2ccccc2)[C@H]1[C@@](C)(O)[C@H]1OC2(CCCCC2)OC1=O
InChIInChI=1S/C24H33NO7/c1-16-18(23(4,28)19-20(26)32-24(31-19)13-9-6-10-14-24)25(22(2,3)30-16)21(27)29-15-17-11-7-5-8-12-17/h5,7-8,11-12,16,18-19,28H,6,9-10,13-15H2,1-4H3/t16-,18+,19-,23+/m0/s1
InChIKeyCAYXKFWNRZNHEF-QYUDBREXSA-N
XLogP3.50
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate with MolForge

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Related Compounds

benzyl (4R)-4-[(2S,4R,5R)-4,5-dihydroxy-6-oxooxan-2-yl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11164423
(2S)-2-[(4S,5S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-4-prop-2-enyl-1,3-oxazolidin-5-yl]-2-phenylmethoxyacetic acid
CID 11327197
tert-butyl (4R)-4-[(R)-hydroxy-[(4S,5S)-4-methoxycarbonyl-5-[(1R)-1-[(4-methoxyphenyl)methoxy]prop-2-enyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11478599
(2R)-2-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-1-morpholin-4-yl-2-phenylmethoxyethanone
CID 44249105
benzyl (4aR,6S,7S,7aS)-6-(3-ethoxy-3-oxopropyl)-4a,7-dihydroxy-2,2-dimethyl-4,6,7,7a-tetrahydro-[1,3]dioxino[5,4-b]pyrrole-5-carboxylate
CID 72196634
tert-butyl (4S)-4-[(1S,2S)-3-methoxy-3-oxo-1,2-bis(phenylmethoxy)propyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134833628
methyl (2S,3S,4S)-5-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-bis(phenylmethoxy)pentanoate
CID 134833629
benzyl (4S)-4-(2-ethoxy-2-oxoethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrole-5-carboxylate
CID 134969995
tert-butyl (4R)-4-[(1S,2R,3R)-4-ethoxy-2,3-dihydroxy-4-oxo-1-phenylmethoxybutyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 135001484
tert-butyl (4R)-4-[(S)-[(4S,5R)-5-ethoxycarbonyl-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 135001485
tert-butyl (4R)-4-[(S)-[(4S,5S)-5-(hydroxymethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-phenylmethoxymethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 135001557
tert-butyl (1R,5S,10S,11R,12E,14S,15S,16S,17S,18R)-1,14,16,17,18-pentahydroxy-10,11-dimethoxy-3-oxo-5-phenyl-4,19-dioxa-8-azabicyclo[13.3.1]nonadec-12-ene-8-carboxylate
CID 171121409

Frequently Asked Questions

What is the IUPAC name of benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate (CID 11442242) is benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is C[C@@H]1OC(C)(C)N(C(=O)OCc2ccccc2)[C@H]1[C@@](C)(O)[C@H]1OC2(CCCCC2)OC1=O.
What is the InChIKey of benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is CAYXKFWNRZNHEF-QYUDBREXSA-N. The full InChI is InChI=1S/C24H33NO7/c1-16-18(23(4,28)19-20(26)32-24(31-19)13-9-6-10-14-24)25(22(2,3)30-16)21(27)29-15-17-11-7-5-8-12-17/h5,7-8,11-12,16,18-19,28H,6,9-10,13-15H2,1-4H3/t16-,18+,19-,23+/m0/s1.
What are the key properties of benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate?
benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 447.53 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R,5S)-4-[(1R)-1-hydroxy-1-[(2R)-3-oxo-1,4-dioxaspiro[4.5]decan-2-yl]ethyl]-2,2,5-trimethyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11442242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).