2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one

C10H19NO4 — CID 159026547

IUPAC2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one
SMILESCCC(=O)C(C)OCOC(C)C(=O)CN
InChIInChI=1S/C10H19NO4/c1-4-9(12)7(2)14-6-15-8(3)10(13)5-11/h7-8H,4-6,11H2,1-3H3
InChIKeyWEZIASYNJNAIKG-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.26
Rot. Bonds8

About 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one

2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one (PubChem CID 159026547) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one.

Molecular Properties

Compound Name2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one
PubChem CID159026547
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one
SMILESCCC(=O)C(C)OCOC(C)C(=O)CN
InChIInChI=1S/C10H19NO4/c1-4-9(12)7(2)14-6-15-8(3)10(13)5-11/h7-8H,4-6,11H2,1-3H3
InChIKeyWEZIASYNJNAIKG-UHFFFAOYSA-N
XLogP0.26
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-Amino-3-[(4-amino-3-oxobutan-2-yl)oxymethoxy]butan-2-one
CID 149337337
1-Amino-3-[(4-amino-3-oxobutan-2-yl)oxymethoxy]butan-2-one;1-[(3-amino-2-oxopropoxy)methoxy]butan-2-one
CID 160729503
1-[(3-Amino-2-oxopropoxy)methoxy]butan-2-one
CID 159026546

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one?
The IUPAC name of 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one (CID 159026547) is 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one.
What is the SMILES notation for 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one?
The canonical SMILES for 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one is CCC(=O)C(C)OCOC(C)C(=O)CN.
What is the InChIKey of 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one?
The InChIKey is WEZIASYNJNAIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-9(12)7(2)14-6-15-8(3)10(13)5-11/h7-8H,4-6,11H2,1-3H3.
What are the key properties of 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one?
2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one has a molecular weight of 217.26 g/mol, XLogP of 0.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-oxobutan-2-yl)oxymethoxy]pentan-3-one is sourced from PubChem (CID 159026547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).