[4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate

C12H20N2O7 — CID 175046390

IUPAC[4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate
SMILESNCCOCC(=O)CC(=O)OC(=O)CC(=O)COCCN
InChIInChI=1S/C12H20N2O7/c13-1-3-19-7-9(15)5-11(17)21-12(18)6-10(16)8-20-4-2-14/h1-8,13-14H2
InChIKeyMGMQGFSLTBWALB-UHFFFAOYSA-N
MW304.30 g/mol
LogP-2.07
Rot. Bonds12

About [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate

[4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate (PubChem CID 175046390) has the molecular formula C12H20N2O7 and a molecular weight of 304.30 g/mol. Its IUPAC name is [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate.

Molecular Properties

Compound Name[4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate
PubChem CID175046390
Molecular FormulaC12H20N2O7
Molecular Weight304.30 g/mol
Exact Mass304.13
IUPAC Name[4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate
SMILESNCCOCC(=O)CC(=O)OC(=O)CC(=O)COCCN
InChIInChI=1S/C12H20N2O7/c13-1-3-19-7-9(15)5-11(17)21-12(18)6-10(16)8-20-4-2-14/h1-8,13-14H2
InChIKeyMGMQGFSLTBWALB-UHFFFAOYSA-N
XLogP-2.07
TPSA148.01 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 5-2.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-(2-aminoethoxy)butan-2-one
CID 116590811
1-[2-(2-aminoethoxy)ethoxy]butan-2-one;2,3-dimethylbutane;ethane
CID 142338769
1-(2-aminoethoxy)-5-methylhexan-2-one
CID 116590814
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 155415114
2-(2-aminoethoxy)-1-cyclopropylethanone
CID 116591061
1-(2-aminoethoxy)dodecan-2-one
CID 116590896
2-(2-aminoethoxy)-N-ethylacetamide
CID 62343422
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 23086951
heptyl 2-(2-aminoethoxy)acetate
CID 79463419
1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen
CID 177241724
1-(2-aminoethoxy)-3-(3,5-difluorophenyl)propan-2-one
CID 105412017
3-(2-oxobutoxy)propyl 2-(methylamino)acetate
CID 59946828

Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate?
The IUPAC name of [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate (CID 175046390) is [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate.
What is the SMILES notation for [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate?
The canonical SMILES for [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate is NCCOCC(=O)CC(=O)OC(=O)CC(=O)COCCN.
What is the InChIKey of [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate?
The InChIKey is MGMQGFSLTBWALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O7/c13-1-3-19-7-9(15)5-11(17)21-12(18)6-10(16)8-20-4-2-14/h1-8,13-14H2.
What are the key properties of [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate?
[4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate has a molecular weight of 304.30 g/mol, XLogP of -2.07, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethoxy)-3-oxobutanoyl] 4-(2-aminoethoxy)-3-oxobutanoate is sourced from PubChem (CID 175046390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).