tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate

C19H26N2O4 — CID 176577986

IUPACtert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate
SMILESCCC(=O)c1ncc(C2CC3(COC3)C2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O4/c1-5-15(22)16-14(21-17(23)25-18(2,3)4)6-12(9-20-16)13-7-19(8-13)10-24-11-19/h6,9,13H,5,7-8,10-11H2,1-4H3,(H,21,23)
InChIKeyZBXZJYJJYQXKGA-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.92
Rot. Bonds4

About tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate

tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate (PubChem CID 176577986) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate
PubChem CID176577986
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Nametert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate
SMILESCCC(=O)c1ncc(C2CC3(COC3)C2)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C19H26N2O4/c1-5-15(22)16-14(21-17(23)25-18(2,3)4)6-12(9-20-16)13-7-19(8-13)10-24-11-19/h6,9,13H,5,7-8,10-11H2,1-4H3,(H,21,23)
InChIKeyZBXZJYJJYQXKGA-UHFFFAOYSA-N
XLogP3.92
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[5-[(2-methylpropan-2-yl)oxycarbonylamino]pyrazin-2-yl]carbamate
CID 11012344
tert-butyl N-[2-acetamido-5-(oxetan-3-yloxy)-4-pyridinyl]carbamate
CID 170731023
tert-butyl N-[2-formyl-5-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]carbamate
CID 176578912
tert-butyl N-[5-(3-cyclopropylphenyl)-2-(2-methylpropanoyl)-3-pyridinyl]carbamate
CID 176579345
ethyl 5-ethenyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 166869398
tert-butyl N-[2-acetamido-5-[(2,2-difluorocyclopropyl)methoxy]-4-pyridinyl]carbamate
CID 170730479
tert-butyl N-[6-chloro-4-(1-hydroxypropyl)-3-pyridinyl]carbamate;tert-butyl N-(6-chloro-4-propanoyl-3-pyridinyl)carbamate
CID 159317844
tert-butyl N-[2-(2-oxaspiro[3.3]heptan-6-ylamino)ethyl]carbamate
CID 170628776
tert-butyl N-(4-aminopyrimidin-5-yl)carbamate
CID 45092116
ethyl 6-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-3-carboxylate
CID 58563500
tert-butyl N-[2-methoxy-5-(8-oxa-2-azaspiro[4.5]decan-2-yl)-3-pyridinyl]carbamate
CID 146200706
tert-butyl N-(3,6-dimethylpyridazin-4-yl)carbamate
CID 130934096

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate?
The IUPAC name of tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate (CID 176577986) is tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate.
What is the SMILES notation for tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate?
The canonical SMILES for tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate is CCC(=O)c1ncc(C2CC3(COC3)C2)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate?
The InChIKey is ZBXZJYJJYQXKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-5-15(22)16-14(21-17(23)25-18(2,3)4)6-12(9-20-16)13-7-19(8-13)10-24-11-19/h6,9,13H,5,7-8,10-11H2,1-4H3,(H,21,23).
What are the key properties of tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate?
tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate has a molecular weight of 346.43 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-(2-oxaspiro[3.3]heptan-6-yl)-2-propanoyl-3-pyridinyl]carbamate is sourced from PubChem (CID 176577986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).