tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

C29H34Cl2N2O6 — CID 11342203

IUPACtert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESCOC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)N1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C29H34Cl2N2O6/c1-28(2,3)39-27(36)33-15-6-13-29(33)14-16-32(26(29)35)24(25(34)37-4)17-19-9-11-20(12-10-19)38-18-21-22(30)7-5-8-23(21)31/h5,7-12,24H,6,13-18H2,1-4H3/t24-,29+/m0/s1
InChIKeyMVJDRUKSHXLCEG-PWUYWRBVSA-N
MW577.51 g/mol
LogP5.66
Rot. Bonds7

About tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate

tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate (PubChem CID 11342203) has the molecular formula C29H34Cl2N2O6 and a molecular weight of 577.51 g/mol. Its IUPAC name is tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
PubChem CID11342203
Molecular FormulaC29H34Cl2N2O6
Molecular Weight577.51 g/mol
Exact Mass576.18
IUPAC Nametert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
SMILESCOC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)N1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1=O
InChIInChI=1S/C29H34Cl2N2O6/c1-28(2,3)39-27(36)33-15-6-13-29(33)14-16-32(26(29)35)24(25(34)37-4)17-19-9-11-20(12-10-19)38-18-21-22(30)7-5-8-23(21)31/h5,7-12,24H,6,13-18H2,1-4H3/t24-,29+/m0/s1
InChIKeyMVJDRUKSHXLCEG-PWUYWRBVSA-N
XLogP5.66
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.51
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate with MolForge

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Related Compounds

tert-butyl 7-[(2S)-3-cyclopropyl-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 162478854
tert-butyl (3aS,5Z,10aS)-9-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-(methylamino)-1-oxopropan-2-yl]-10-oxo-3,3a,4,7,8,10a-hexahydro-2H-pyrrolo[2,3-c]azonine-1-carboxylate
CID 23726912
tert-butyl (5R)-6-oxo-7-[(1R)-1-phenylethyl]-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 73013452
methyl 2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoate
CID 22386629
tert-butyl (5S)-9-[(2R)-4-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopentan-2-yl]-10-oxo-1,9-diazaspiro[4.5]decane-1-carboxylate
CID 10905991
tert-butyl (5R)-10-benzyl-11-oxo-1,10-diazaspiro[4.6]undecane-1-carboxylate
CID 102146444
benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 54125624
2-[3-[2-(2-carboxyethyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoylamino]-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 23440110
3-[4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 170880366
tert-butyl 8-[[(2S)-3-[4-(4-cyanophenyl)phenyl]-1-methoxy-1-oxopropan-2-yl]carbamoyl]-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-2-oxo-1,6,8,9-tetrahydropyrido[4,3-g][1,4]benzoxazine-7-carboxylate
CID 66923131
tert-butyl (2S)-2-[[2-amino-3-(aminomethyl)-4-chlorophenyl]carbamoyl]-2-methylpyrrolidine-1-carboxylate
CID 150993777
(2R)-2-amino-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]propanoic acid
CID 56777094

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The IUPAC name of tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate (CID 11342203) is tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate.
What is the SMILES notation for tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The canonical SMILES for tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate is COC(=O)[C@H](Cc1ccc(OCc2c(Cl)cccc2Cl)cc1)N1CC[C@]2(CCCN2C(=O)OC(C)(C)C)C1=O.
What is the InChIKey of tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
The InChIKey is MVJDRUKSHXLCEG-PWUYWRBVSA-N. The full InChI is InChI=1S/C29H34Cl2N2O6/c1-28(2,3)39-27(36)33-15-6-13-29(33)14-16-32(26(29)35)24(25(34)37-4)17-19-9-11-20(12-10-19)38-18-21-22(30)7-5-8-23(21)31/h5,7-12,24H,6,13-18H2,1-4H3/t24-,29+/m0/s1.
What are the key properties of tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate?
tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate has a molecular weight of 577.51 g/mol, XLogP of 5.66, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-7-[(2S)-3-[4-[(2,6-dichlorophenyl)methoxy]phenyl]-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate is sourced from PubChem (CID 11342203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).