butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate

C12H22N2O3 — CID 175984726

IUPACbutyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
SMILESCCCCOC(=O)N1CC[C@@]2(COCCN2)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-7-17-11(15)14-6-4-12(9-14)10-16-8-5-13-12/h13H,2-10H2,1H3/t12-/m0/s1
InChIKeyCSJANQZMPUCSDF-LBPRGKRZSA-N
MW242.32 g/mol
LogP0.99
Rot. Bonds3

About butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate

butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate (PubChem CID 175984726) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate.

Molecular Properties

Compound Namebutyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
PubChem CID175984726
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Namebutyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate
SMILESCCCCOC(=O)N1CC[C@@]2(COCCN2)C1
InChIInChI=1S/C12H22N2O3/c1-2-3-7-17-11(15)14-6-4-12(9-14)10-16-8-5-13-12/h13H,2-10H2,1H3/t12-/m0/s1
InChIKeyCSJANQZMPUCSDF-LBPRGKRZSA-N
XLogP0.99
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.99
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

butyl 4-(morpholine-4-carbonyl)piperazine-1-carboxylate
CID 67764639
butyl aziridine-1-carboxylate
CID 12641
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
CID 67036881
butyl 6-acetyl-2,6-diazaspiro[3.3]heptane-2-carboxylate
CID 175978634
2-tert-butyl-9-oxa-2,6-diazaspiro[4.5]decane
CID 162462266
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
butyl 4-(2-methoxyacetyl)piperazine-1-carboxylate
CID 108569961
butyl 4-(2-aminopropanoyl)piperazine-1-carboxylate
CID 66713226
butyl 5-methyl-1,4-diazepane-1-carboxylate
CID 82241789
ethyl 1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxylate
CID 97449218
butyl 4-[(1-hydroxycyclopropyl)methyl]piperidine-1-carboxylate
CID 70848394

Frequently Asked Questions

What is the IUPAC name of butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate?
The IUPAC name of butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate (CID 175984726) is butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate.
What is the SMILES notation for butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate?
The canonical SMILES for butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate is CCCCOC(=O)N1CC[C@@]2(COCCN2)C1.
What is the InChIKey of butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate?
The InChIKey is CSJANQZMPUCSDF-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-2-3-7-17-11(15)14-6-4-12(9-14)10-16-8-5-13-12/h13H,2-10H2,1H3/t12-/m0/s1.
What are the key properties of butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate?
butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate has a molecular weight of 242.32 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl (5S)-9-oxa-2,6-diazaspiro[4.5]decane-2-carboxylate is sourced from PubChem (CID 175984726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).