(1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide

C15H22N2O4 — CID 154867647

IUPAC(1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide
SMILESO=C1CCCN1CCONC(=O)[C@]12C[C@H]1COC21CCC1
InChIInChI=1S/C15H22N2O4/c18-12-3-1-6-17(12)7-8-21-16-13(19)15-9-11(15)10-20-14(15)4-2-5-14/h11H,1-10H2,(H,16,19)/t11-,15-/m0/s1
InChIKeyMTSYBECGWPKZBW-NHYWBVRUSA-N
MW294.35 g/mol
LogP0.62
Rot. Bonds5

About (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide

(1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide (PubChem CID 154867647) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide.

Molecular Properties

Compound Name(1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide
PubChem CID154867647
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide
SMILESO=C1CCCN1CCONC(=O)[C@]12C[C@H]1COC21CCC1
InChIInChI=1S/C15H22N2O4/c18-12-3-1-6-17(12)7-8-21-16-13(19)15-9-11(15)10-20-14(15)4-2-5-14/h11H,1-10H2,(H,16,19)/t11-,15-/m0/s1
InChIKeyMTSYBECGWPKZBW-NHYWBVRUSA-N
XLogP0.62
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-5-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]pyrrolidine-2-carboxamide
CID 154866002
2-(2-oxopyrrolidin-1-yl)ethyl carbamate
CID 118350046
2-(oxiran-2-yl)ethyl 2-(2-oxopyrrolidin-1-yl)ethyl carbonate
CID 88849448
2-(2-oxopyrrolidin-1-yl)ethyl 2,3,4,5-tetrafluorobenzoate
CID 2420777
3-(2-oxopyrrolidin-1-yl)propyl acetate
CID 71390643
2-(2-oxopyrrolidin-1-yl)ethyl 7-oxabicyclo[2.2.1]heptane-2-carboxylate
CID 58935228
1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]piperidin-2-one
CID 58604092
2-(2-oxopyrrolidin-1-yl)ethyl N-phenylcarbamate
CID 117060433
1,1-difluoro-2-oxo-2-[2-(2-oxopyrrolidin-1-yl)ethoxy]ethanesulfonate
CID 58520241
1-[2-[3-[2-(2-oxopyrrolidin-1-yl)ethylamino]propylamino]ethyl]pyrrolidin-2-one
CID 19837416
N-[2-(2-oxopyrrolidin-1-yl)ethoxy]-5,6,7,8-tetrahydroquinoline-5-carboxamide
CID 154869696
2-(2-oxopyrrolidin-1-yl)ethyl 4-tert-butylbenzoate
CID 2375129

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide?
The IUPAC name of (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide (CID 154867647) is (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide.
What is the SMILES notation for (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide?
The canonical SMILES for (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide is O=C1CCCN1CCONC(=O)[C@]12C[C@H]1COC21CCC1.
What is the InChIKey of (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide?
The InChIKey is MTSYBECGWPKZBW-NHYWBVRUSA-N. The full InChI is InChI=1S/C15H22N2O4/c18-12-3-1-6-17(12)7-8-21-16-13(19)15-9-11(15)10-20-14(15)4-2-5-14/h11H,1-10H2,(H,16,19)/t11-,15-/m0/s1.
What are the key properties of (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide?
(1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide has a molecular weight of 294.35 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-N-[2-(2-oxopyrrolidin-1-yl)ethoxy]spiro[3-oxabicyclo[3.1.0]hexane-2,1'-cyclobutane]-1-carboxamide is sourced from PubChem (CID 154867647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).