methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate

C12H16N2O5 — CID 9378975

IUPACmethyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H16N2O5/c1-19-11(18)13-8(15)7-14-9(16)6-12(10(14)17)4-2-3-5-12/h2-7H2,1H3,(H,13,15,18)
InChIKeyQTFXKBLZRNURPX-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.19
Rot. Bonds2

About methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate

methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate (PubChem CID 9378975) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate
PubChem CID9378975
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Namemethyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate
SMILESCOC(=O)NC(=O)CN1C(=O)CC2(CCCC2)C1=O
InChIInChI=1S/C12H16N2O5/c1-19-11(18)13-8(15)7-14-9(16)6-12(10(14)17)4-2-3-5-12/h2-7H2,1H3,(H,13,15,18)
InChIKeyQTFXKBLZRNURPX-UHFFFAOYSA-N
XLogP0.19
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)ethyl]carbamate
CID 2795738
N-(cyclopropylmethyl)-2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 75402678
2-(3-Oxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 23336694
methyl N-methyl-N-[4-(3-methyl-2,5-dioxopyrrolidin-3-yl)pentyl]carbamate
CID 59950824
methyl N-[(1S)-1-cyclopentyl-2-oxo-2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]ethyl]carbamate
CID 68100627
methyl N-[1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 68574299
methyl N-[(1S)-1-cyclopentyl-2-oxo-2-(2-propan-2-ylpyrrolidin-1-yl)ethyl]carbamate
CID 68575526
methyl N-[1-cyclopentyl-2-oxo-2-[(2S)-2-propan-2-ylpyrrolidin-1-yl]ethyl]carbamate
CID 69627671
N-methyl-2-(3-oxo-2-azaspiro[4.4]nonan-2-yl)acetamide
CID 70590718
methyl N-(1-cyclopentyl-2-oxo-2-pyrrolidin-1-ylethyl)carbamate
CID 89956368
methyl N-[(1S)-1-cyclopentyl-2-[(2R)-2-methylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 90196538
methyl N-[1-cyclopentyl-2-[(2R)-2-ethylpyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 126707470

Frequently Asked Questions

What is the IUPAC name of methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate?
The IUPAC name of methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate (CID 9378975) is methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate.
What is the SMILES notation for methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate?
The canonical SMILES for methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate is COC(=O)NC(=O)CN1C(=O)CC2(CCCC2)C1=O.
What is the InChIKey of methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate?
The InChIKey is QTFXKBLZRNURPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-19-11(18)13-8(15)7-14-9(16)6-12(10(14)17)4-2-3-5-12/h2-7H2,1H3,(H,13,15,18).
What are the key properties of methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate?
methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate has a molecular weight of 268.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(1,3-dioxo-2-azaspiro[4.4]nonan-2-yl)acetyl]carbamate is sourced from PubChem (CID 9378975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).