tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate

C17H29NO3 — CID 177329849

IUPACtert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate
SMILESC=CCCC1(O)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H29NO3/c1-5-6-9-17(20)11-16(12-17)8-7-10-18(13-16)14(19)21-15(2,3)4/h5,20H,1,6-13H2,2-4H3
InChIKeyCJWLMUGVAWQTCR-UHFFFAOYSA-N
MW295.42 g/mol
LogP3.49
Rot. Bonds3

About tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate

tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate (PubChem CID 177329849) has the molecular formula C17H29NO3 and a molecular weight of 295.42 g/mol. Its IUPAC name is tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate
PubChem CID177329849
Molecular FormulaC17H29NO3
Molecular Weight295.42 g/mol
Exact Mass295.21
IUPAC Nametert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate
SMILESC=CCCC1(O)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H29NO3/c1-5-6-9-17(20)11-16(12-17)8-7-10-18(13-16)14(19)21-15(2,3)4/h5,20H,1,6-13H2,2-4H3
InChIKeyCJWLMUGVAWQTCR-UHFFFAOYSA-N
XLogP3.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 4-(cyclopropylmethyl)-4-(1-hydroxyethenyl)piperidine-1-carboxylate
CID 89278130
4-But-3-enyl-2-tert-butyl-4-hydroxypiperidine-1-carboxylic acid
CID 90418942
Tert-butyl 4-(but-3-en-1-yl)-4-(hydroxymethyl)piperidine-1-carboxylate
CID 117603750
Tert-butyl 4-(1-hydroxyhex-5-en-1-yl)piperidine-1-carboxylate
CID 117679720
Tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebut-3-enyl)piperidine-1-carboxylate
CID 123485732
Tert-butyl 3-prop-2-enyl-7-azaspiro[3.5]nonane-7-carboxylate
CID 154612924
Tert-butyl 2-ethenyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate
CID 171613639
Tert-butyl 4-hydroxy-4-pent-4-enylpiperidine-1-carboxylate
CID 176766440
4-Hept-6-enyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 107007933
Tert-butyl 4-buta-1,3-dien-2-yl-4-(3-hydroxypropyl)piperidine-1-carboxylate
CID 143873848
Tert-butyl 2-ethenyl-2-hydroxy-7-azaspiro[3.5]nonane-7-carboxylate
CID 168025105

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate?
The IUPAC name of tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate (CID 177329849) is tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate.
What is the SMILES notation for tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate?
The canonical SMILES for tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate is C=CCCC1(O)CC2(CCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate?
The InChIKey is CJWLMUGVAWQTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO3/c1-5-6-9-17(20)11-16(12-17)8-7-10-18(13-16)14(19)21-15(2,3)4/h5,20H,1,6-13H2,2-4H3.
What are the key properties of tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate?
tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate has a molecular weight of 295.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-but-3-enyl-2-hydroxy-6-azaspiro[3.5]nonane-6-carboxylate is sourced from PubChem (CID 177329849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).