2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate

C15H26N2O4 — CID 97111372

IUPAC2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@]12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H26N2O4/c1-5-20-12(18)11-8-16-9-15(11)6-7-17(10-15)13(19)21-14(2,3)4/h11,16H,5-10H2,1-4H3/t11-,15-/m1/s1
InChIKeyLKKYIMUKDUHHII-IAQYHMDHSA-N
MW298.38 g/mol
LogP1.40
Rot. Bonds2

About 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate

2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate (PubChem CID 97111372) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate.

Molecular Properties

Compound Name2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
PubChem CID97111372
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@]12CCN(C(=O)OC(C)(C)C)C2
InChIInChI=1S/C15H26N2O4/c1-5-20-12(18)11-8-16-9-15(11)6-7-17(10-15)13(19)21-14(2,3)4/h11,16H,5-10H2,1-4H3/t11-,15-/m1/s1
InChIKeyLKKYIMUKDUHHII-IAQYHMDHSA-N
XLogP1.40
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate with MolForge

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Related Compounds

2-O-tert-butyl 9-O-ethyl 2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate
CID 71305548
7-O-tert-butyl 1-O-ethyl 3-oxo-2,7-diazaspiro[4.4]nonane-1,7-dicarboxylate
CID 178200149
6-O-tert-butyl 8-O-ethyl 6-azaspiro[3.4]octane-6,8-dicarboxylate
CID 127264203
1-O-tert-butyl 4-O-ethyl 3,3-difluoropiperidine-1,4-dicarboxylate
CID 122199555
tert-butyl 4-hydroxy-2,7-diazaspiro[4.5]decane-7-carboxylate
CID 83488546
2-O-tert-butyl 4-O-ethyl 8-oxa-2-azaspiro[4.5]decane-2,4-dicarboxylate
CID 170758425
7-O-tert-butyl 5-O-ethyl 2-oxa-7-azaspiro[3.4]octane-5,7-dicarboxylate
CID 166445109
2-O-tert-butyl 8-O-ethyl (5R,8S)-6-oxa-2,9-diazaspiro[4.5]decane-2,8-dicarboxylate
CID 125113172
ethyl 7,8-dimethyl-2-azaspiro[4.5]decane-4-carboxylate
CID 114486788
ethyl 2-[N-methylidene-N'-[(Z)-prop-1-enyl]carbamimidoyl]-2,7-diazaspiro[3.4]octane-5-carboxylate
CID 170756372
tert-butyl 5-methyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 131391492
6-[(2-methylpropan-2-yl)oxycarbonyl]-6-azaspiro[3.4]octane-3-carboxylic acid
CID 129317695

Frequently Asked Questions

What is the IUPAC name of 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate?
The IUPAC name of 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate (CID 97111372) is 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate.
What is the SMILES notation for 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate?
The canonical SMILES for 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate is CCOC(=O)[C@H]1CNC[C@@]12CCN(C(=O)OC(C)(C)C)C2.
What is the InChIKey of 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate?
The InChIKey is LKKYIMUKDUHHII-IAQYHMDHSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-5-20-12(18)11-8-16-9-15(11)6-7-17(10-15)13(19)21-14(2,3)4/h11,16H,5-10H2,1-4H3/t11-,15-/m1/s1.
What are the key properties of 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate?
2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-O-tert-butyl 9-O-ethyl (5R,9R)-2,7-diazaspiro[4.4]nonane-2,9-dicarboxylate is sourced from PubChem (CID 97111372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).