2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate

C19H32N4O2 — CID 95215943

IUPAC2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCc1ncc(CN2CC[C@@]3(CCCN(C(=O)OCC(C)(C)C)C3)C2)[nH]1
InChIInChI=1S/C19H32N4O2/c1-15-20-10-16(21-15)11-22-9-7-19(12-22)6-5-8-23(13-19)17(24)25-14-18(2,3)4/h10H,5-9,11-14H2,1-4H3,(H,20,21)/t19-/m0/s1
InChIKeyFSBZKMGZSZGEAC-IBGZPJMESA-N
MW348.49 g/mol
LogP3.19
Rot. Bonds3

About 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate

2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate (PubChem CID 95215943) has the molecular formula C19H32N4O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate.

Molecular Properties

Compound Name2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
PubChem CID95215943
Molecular FormulaC19H32N4O2
Molecular Weight348.49 g/mol
Exact Mass348.25
IUPAC Name2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate
SMILESCc1ncc(CN2CC[C@@]3(CCCN(C(=O)OCC(C)(C)C)C3)C2)[nH]1
InChIInChI=1S/C19H32N4O2/c1-15-20-10-16(21-15)11-22-9-7-19(12-22)6-5-8-23(13-19)17(24)25-14-18(2,3)4/h10H,5-9,11-14H2,1-4H3,(H,20,21)/t19-/m0/s1
InChIKeyFSBZKMGZSZGEAC-IBGZPJMESA-N
XLogP3.19
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The IUPAC name of 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate (CID 95215943) is 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate.
What is the SMILES notation for 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The canonical SMILES for 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate is Cc1ncc(CN2CC[C@@]3(CCCN(C(=O)OCC(C)(C)C)C3)C2)[nH]1.
What is the InChIKey of 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
The InChIKey is FSBZKMGZSZGEAC-IBGZPJMESA-N. The full InChI is InChI=1S/C19H32N4O2/c1-15-20-10-16(21-15)11-22-9-7-19(12-22)6-5-8-23(13-19)17(24)25-14-18(2,3)4/h10H,5-9,11-14H2,1-4H3,(H,20,21)/t19-/m0/s1.
What are the key properties of 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate?
2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate has a molecular weight of 348.49 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylpropyl (5S)-2-[(2-methyl-1H-imidazol-5-yl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxylate is sourced from PubChem (CID 95215943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).