tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate

C24H36N2O4 — CID 166116219

IUPACtert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)[C@@H](C(=O)OCc1ccccc1)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C24H36N2O4/c1-18(2)20(21(27)29-15-19-9-7-6-8-10-19)25-13-11-24(16-25)12-14-26(17-24)22(28)30-23(3,4)5/h6-10,18,20H,11-17H2,1-5H3/t20-,24+/m0/s1
InChIKeyXCNZXDBWOPEZAG-GBXCKJPGSA-N
MW416.56 g/mol
LogP4.09
Rot. Bonds5

About tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate

tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate (PubChem CID 166116219) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
PubChem CID166116219
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Nametert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate
SMILESCC(C)[C@@H](C(=O)OCc1ccccc1)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C24H36N2O4/c1-18(2)20(21(27)29-15-19-9-7-6-8-10-19)25-13-11-24(16-25)12-14-26(17-24)22(28)30-23(3,4)5/h6-10,18,20H,11-17H2,1-5H3/t20-,24+/m0/s1
InChIKeyXCNZXDBWOPEZAG-GBXCKJPGSA-N
XLogP4.09
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.56
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylic acid
CID 174216671
tert-butyl 8-[(2R)-2-[methyl(phenylmethoxycarbonyl)amino]propanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 129073488
9-O-benzyl 2-O-tert-butyl (5R)-2,6,9-triazaspiro[4.5]decane-2,9-dicarboxylate
CID 97111040
benzyl 8-[(2S)-2-aminopropanoyl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 97175447
tert-butyl 9-(1-phenylmethoxycarbonylpiperidin-4-yl)-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 166095550
(4S,5R)-7-[(2-methylpropan-2-yl)oxycarbonyl]-2-phenylmethoxycarbonyl-2,7-diazaspiro[4.4]nonane-4-carboxylic acid
CID 97110966
tert-butyl 9-benzyl-2,9-diazaspiro[4.6]undecane-2-carboxylate
CID 59818863
tert-butyl (3R)-3-formyl-3-(phenylmethoxymethyl)pyrrolidine-1-carboxylate
CID 166506659
tert-butyl (5R)-2-benzyl-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 86326943
1-O-benzyl 1-O'-tert-butyl spiro[2,4-dihydroquinoline-3,4'-piperidine]-1,1'-dicarboxylate
CID 118412303
2-O-benzyl 8-O-tert-butyl (3S)-3-(hydroxymethyl)-2,8-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 124518922
tert-butyl (3S)-3-(methoxymethyl)-3-(phenylmethoxycarbonylamino)pyrrolidine-1-carboxylate
CID 175984767

Frequently Asked Questions

What is the IUPAC name of tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The IUPAC name of tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate (CID 166116219) is tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate.
What is the SMILES notation for tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The canonical SMILES for tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate is CC(C)[C@@H](C(=O)OCc1ccccc1)N1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
The InChIKey is XCNZXDBWOPEZAG-GBXCKJPGSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-18(2)20(21(27)29-15-19-9-7-6-8-10-19)25-13-11-24(16-25)12-14-26(17-24)22(28)30-23(3,4)5/h6-10,18,20H,11-17H2,1-5H3/t20-,24+/m0/s1.
What are the key properties of tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate?
tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate has a molecular weight of 416.56 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (5R)-7-[(2S)-3-methyl-1-oxo-1-phenylmethoxybutan-2-yl]-2,7-diazaspiro[4.4]nonane-2-carboxylate is sourced from PubChem (CID 166116219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).