cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate

C11H17NO5 — CID 167072055

IUPACcyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate
SMILESCN(OC(=O)OCC1CCC1)C(=O)CCC=O
InChIInChI=1S/C11H17NO5/c1-12(10(14)6-3-7-13)17-11(15)16-8-9-4-2-5-9/h7,9H,2-6,8H2,1H3
InChIKeyAMILFVSPMTWFOA-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.29
Rot. Bonds5

About cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate

cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate (PubChem CID 167072055) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate.

Molecular Properties

Compound Namecyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate
PubChem CID167072055
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Namecyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate
SMILESCN(OC(=O)OCC1CCC1)C(=O)CCC=O
InChIInChI=1S/C11H17NO5/c1-12(10(14)6-3-7-13)17-11(15)16-8-9-4-2-5-9/h7,9H,2-6,8H2,1H3
InChIKeyAMILFVSPMTWFOA-UHFFFAOYSA-N
XLogP1.29
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroperoxy-N-methyl-4-oxobutanamide
CID 172627097
[methyl(4-oxobutanoyl)amino] 1-formylcyclobutane-1-carboxylate
CID 144870608
[methyl(4-oxobutanoyl)amino] 2-[[2-(2,6-dimethylpiperidin-1-yl)acetyl]amino]acetate
CID 163849011
cyclobutylmethyl N,N-dimethylcarbamate
CID 142239565
[methyl(4-oxobutanoyl)amino] 4-(dimethylamino)butanoate
CID 178100525
[methyl(4-oxobutanoyl)amino] (1S,4E)-1-methyl-6-[methyl(4-oxobutanoyl)amino]oxycarbonyloxycyclooct-4-ene-1-carboxylate
CID 170135254
cyclopropylmethyl methyl carbonate
CID 54535586
cyclohexylmethyl 2-oxoacetate
CID 174782114
N-methyl-4-oxo-N-propoxybutanamide
CID 130192100
3-cyclobutyl-N-methoxy-N-methylpropanamide
CID 142020643
cyclohexylmethyl N,N-dimethylcarbamate
CID 12696074
[methyl(4-oxobutanoyl)amino] 3-(2-ethoxyethylamino)propanoate
CID 162740365

Frequently Asked Questions

What is the IUPAC name of cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate?
The IUPAC name of cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate (CID 167072055) is cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate.
What is the SMILES notation for cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate?
The canonical SMILES for cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate is CN(OC(=O)OCC1CCC1)C(=O)CCC=O.
What is the InChIKey of cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate?
The InChIKey is AMILFVSPMTWFOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO5/c1-12(10(14)6-3-7-13)17-11(15)16-8-9-4-2-5-9/h7,9H,2-6,8H2,1H3.
What are the key properties of cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate?
cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate has a molecular weight of 243.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutylmethyl [methyl(4-oxobutanoyl)amino] carbonate is sourced from PubChem (CID 167072055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).