tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

C16H27NO4 — CID 42605342

IUPACtert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESC=C[C@H](O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO4/c1-5-13(18)12-11-20-16(9-7-6-8-10-16)17(12)14(19)21-15(2,3)4/h5,12-13,18H,1,6-11H2,2-4H3/t12-,13+/m1/s1
InChIKeyXSDRMQFNBCFSSM-OLZOCXBDSA-N
MW297.40 g/mol
LogP2.83
Rot. Bonds2

About tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate

tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (PubChem CID 42605342) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
PubChem CID42605342
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Nametert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate
SMILESC=C[C@H](O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H27NO4/c1-5-13(18)12-11-20-16(9-7-6-8-10-16)17(12)14(19)21-15(2,3)4/h5,12-13,18H,1,6-11H2,2-4H3/t12-,13+/m1/s1
InChIKeyXSDRMQFNBCFSSM-OLZOCXBDSA-N
XLogP2.83
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The IUPAC name of tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate (CID 42605342) is tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate.
What is the SMILES notation for tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The canonical SMILES for tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is C=C[C@H](O)[C@H]1COC2(CCCCC2)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
The InChIKey is XSDRMQFNBCFSSM-OLZOCXBDSA-N. The full InChI is InChI=1S/C16H27NO4/c1-5-13(18)12-11-20-16(9-7-6-8-10-16)17(12)14(19)21-15(2,3)4/h5,12-13,18H,1,6-11H2,2-4H3/t12-,13+/m1/s1.
What are the key properties of tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate?
tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R)-3-[(1S)-1-hydroxyprop-2-enyl]-1-oxa-4-azaspiro[4.5]decane-4-carboxylate is sourced from PubChem (CID 42605342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).