methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate

C11H18N2O3 — CID 73013471

IUPACmethyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate
SMILESCOC(=O)CN1CCCC2(CCCN2)C1=O
InChIInChI=1S/C11H18N2O3/c1-16-9(14)8-13-7-3-5-11(10(13)15)4-2-6-12-11/h12H,2-8H2,1H3
InChIKeyDVORJEKTRUZUQR-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds2

About methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate

methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate (PubChem CID 73013471) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate
PubChem CID73013471
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate
SMILESCOC(=O)CN1CCCC2(CCCN2)C1=O
InChIInChI=1S/C11H18N2O3/c1-16-9(14)8-13-7-3-5-11(10(13)15)4-2-6-12-11/h12H,2-8H2,1H3
InChIKeyDVORJEKTRUZUQR-UHFFFAOYSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate?
The IUPAC name of methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate (CID 73013471) is methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate.
What is the SMILES notation for methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate?
The canonical SMILES for methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate is COC(=O)CN1CCCC2(CCCN2)C1=O.
What is the InChIKey of methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate?
The InChIKey is DVORJEKTRUZUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-16-9(14)8-13-7-3-5-11(10(13)15)4-2-6-12-11/h12H,2-8H2,1H3.
What are the key properties of methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate?
methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate has a molecular weight of 226.28 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(10-oxo-1,9-diazaspiro[4.5]decan-9-yl)acetate is sourced from PubChem (CID 73013471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).