2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate

C16H29NO4 — CID 137387494

IUPAC2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOCCOC(=O)N1CCC2(CCC(C(C)C)C2O)CC1
InChIInChI=1S/C16H29NO4/c1-12(2)13-4-5-16(14(13)18)6-8-17(9-7-16)15(19)21-11-10-20-3/h12-14,18H,4-11H2,1-3H3
InChIKeyATXZEZNNRHMSIT-UHFFFAOYSA-N
MW299.41 g/mol
LogP2.28
Rot. Bonds4

About 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate

2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 137387494) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID137387494
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Name2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOCCOC(=O)N1CCC2(CCC(C(C)C)C2O)CC1
InChIInChI=1S/C16H29NO4/c1-12(2)13-4-5-16(14(13)18)6-8-17(9-7-16)15(19)21-11-10-20-3/h12-14,18H,4-11H2,1-3H3
InChIKeyATXZEZNNRHMSIT-UHFFFAOYSA-N
XLogP2.28
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoroethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate
CID 142510432
2-methoxyethyl 4-ethylpiperidine-1-carboxylate
CID 70658235
2-methoxyethyl (3S,4R)-4-hydroxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-8-azaspiro[4.5]decane-8-carboxylate
CID 137387022
2-methoxyethyl 4-methylpiperazine-1-carboxylate
CID 90327658
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-propan-2-ylpiperidine-1-carboxylate
CID 169283749
8-O-tert-butyl 3-O-methyl (3S,4S)-4-hydroxy-8-azaspiro[4.5]decane-3,8-dicarboxylate
CID 97111241
4-methoxybutyl pyrrolidine-1-carboxylate
CID 172841954
1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
CID 67036881
ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
CID 103802384
2-(methylamino)-7-propan-2-ylspiro[3.4]octan-8-ol
CID 160537799
2-methoxyethyl 4-[1-(cyclobutanecarbonyl)piperidin-2-yl]piperidine-1-carboxylate
CID 155880257
2-methoxyethyl (4R)-2-methyl-3-oxo-4-phenyl-2,9-diazaspiro[5.5]undecane-9-carboxylate
CID 97443621

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate (CID 137387494) is 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate is COCCOC(=O)N1CCC2(CCC(C(C)C)C2O)CC1.
What is the InChIKey of 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is ATXZEZNNRHMSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO4/c1-12(2)13-4-5-16(14(13)18)6-8-17(9-7-16)15(19)21-11-10-20-3/h12-14,18H,4-11H2,1-3H3.
What are the key properties of 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate?
2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 137387494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).