tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C17H28N2O5 — CID 126502782

IUPACtert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESC=CCOC(=O)NC1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H28N2O5/c1-5-10-22-14(20)18-13-11-17(23-12-13)6-8-19(9-7-17)15(21)24-16(2,3)4/h5,13H,1,6-12H2,2-4H3,(H,18,20)
InChIKeyHJKDIHWOTMKPEY-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.46
Rot. Bonds3

About tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 126502782) has the molecular formula C17H28N2O5 and a molecular weight of 340.42 g/mol. Its IUPAC name is tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID126502782
Molecular FormulaC17H28N2O5
Molecular Weight340.42 g/mol
Exact Mass340.20
IUPAC Nametert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESC=CCOC(=O)NC1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1
InChIInChI=1S/C17H28N2O5/c1-5-10-22-14(20)18-13-11-17(23-12-13)6-8-19(9-7-17)15(21)24-16(2,3)4/h5,13H,1,6-12H2,2-4H3,(H,18,20)
InChIKeyHJKDIHWOTMKPEY-UHFFFAOYSA-N
XLogP2.46
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 135238376
Ethyl (3S,4R)-4-[(tert-butoxycarbonyl)amino}-3-(prop-2-en-1-yloxy)piperidine-1-carboxylate
CID 58074870
Ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enoxypiperidine-1-carboxylate
CID 76687453
tert-butyl (3R)-3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502890
prop-2-enyl N-methyl-N-[(3R)-1-oxa-8-azaspiro[4.5]decan-3-yl]carbamate
CID 126502891
tert-butyl (3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
CID 126502892
(3R)-3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126506666
(3R)-3-[methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126506835
3-(Prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 126527528
cis(+/-)Ethyl-3-(allyloxy)-4-[(tert-butoxycarbonyl)amino]piperidine-1-carboxylate
CID 131730314
3-[(2-Methylpropan-2-yl)oxycarbonylamino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 132212480
3-[Methyl(prop-2-enoxycarbonyl)amino]-1-oxa-8-azaspiro[4.5]decane-8-carboxylic acid
CID 135238358

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 126502782) is tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is C=CCOC(=O)NC1COC2(CCN(C(=O)OC(C)(C)C)CC2)C1.
What is the InChIKey of tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is HJKDIHWOTMKPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O5/c1-5-10-22-14(20)18-13-11-17(23-12-13)6-8-19(9-7-17)15(21)24-16(2,3)4/h5,13H,1,6-12H2,2-4H3,(H,18,20).
What are the key properties of tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(prop-2-enoxycarbonylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 126502782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).