[2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate

C10H17NO6 — CID 58544134

IUPAC[2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate
SMILESCCC(=O)OCCCC(=O)OCC(=O)NOC
InChIInChI=1S/C10H17NO6/c1-3-9(13)16-6-4-5-10(14)17-7-8(12)11-15-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyFFPLYRJGJMSUAU-UHFFFAOYSA-N
MW247.25 g/mol
LogP-0.06
Rot. Bonds8

About [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate

[2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate (PubChem CID 58544134) has the molecular formula C10H17NO6 and a molecular weight of 247.25 g/mol. Its IUPAC name is [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate.

Molecular Properties

Compound Name[2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate
PubChem CID58544134
Molecular FormulaC10H17NO6
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name[2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate
SMILESCCC(=O)OCCCC(=O)OCC(=O)NOC
InChIInChI=1S/C10H17NO6/c1-3-9(13)16-6-4-5-10(14)17-7-8(12)11-15-2/h3-7H2,1-2H3,(H,11,12)
InChIKeyFFPLYRJGJMSUAU-UHFFFAOYSA-N
XLogP-0.06
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

14-propanoyloxytetradecyl propanoate
CID 100931915
butanoyl 4-butanoyloxybutanoate
CID 88605153
12-oxo-12-(10-propanoyloxydecoxy)dodecanoic acid
CID 118033576
[2-(methylamino)-2-oxoethyl] propanoate
CID 131176227
10-O-butyl 1-O-methyl decanedioate
CID 22057000
bis(propanoyloxymethyl) heptanedioate
CID 90973893
benzyl 4-propanoyloxybutanoate
CID 163613543
(2-hexadecoxy-2-oxoethyl) hexanoate
CID 146318627
1-O-methyl 6-O-octadecyl hexanedioate
CID 91718016
pentyl hexanoate
CID 10886
dibutyl heptadecanedioate
CID 87117348
3-aminopropyl propanoate;hydrochloride
CID 91621397

Frequently Asked Questions

What is the IUPAC name of [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate?
The IUPAC name of [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate (CID 58544134) is [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate.
What is the SMILES notation for [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate?
The canonical SMILES for [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate is CCC(=O)OCCCC(=O)OCC(=O)NOC.
What is the InChIKey of [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate?
The InChIKey is FFPLYRJGJMSUAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO6/c1-3-9(13)16-6-4-5-10(14)17-7-8(12)11-15-2/h3-7H2,1-2H3,(H,11,12).
What are the key properties of [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate?
[2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate has a molecular weight of 247.25 g/mol, XLogP of -0.06, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methoxyamino)-2-oxoethyl] 4-propanoyloxybutanoate is sourced from PubChem (CID 58544134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).