methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate

C15H30N2O6 — CID 135021489

IUPACmethyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCCOCCOCCOCCCN
InChIInChI=1S/C15H30N2O6/c1-20-15(19)5-4-14(18)17-7-3-9-22-11-13-23-12-10-21-8-2-6-16/h2-13,16H2,1H3,(H,17,18)
InChIKeySVDBWEFQPVDNBH-UHFFFAOYSA-N
MW334.41 g/mol
LogP-0.16
Rot. Bonds16

About methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate

methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate (PubChem CID 135021489) has the molecular formula C15H30N2O6 and a molecular weight of 334.41 g/mol. Its IUPAC name is methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate
PubChem CID135021489
Molecular FormulaC15H30N2O6
Molecular Weight334.41 g/mol
Exact Mass334.21
IUPAC Namemethyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NCCCOCCOCCOCCCN
InChIInChI=1S/C15H30N2O6/c1-20-15(19)5-4-14(18)17-7-3-9-22-11-13-23-12-10-21-8-2-6-16/h2-13,16H2,1H3,(H,17,18)
InChIKeySVDBWEFQPVDNBH-UHFFFAOYSA-N
XLogP-0.16
TPSA109.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.41
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate?
The IUPAC name of methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate (CID 135021489) is methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate is COC(=O)CCC(=O)NCCCOCCOCCOCCCN.
What is the InChIKey of methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate?
The InChIKey is SVDBWEFQPVDNBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O6/c1-20-15(19)5-4-14(18)17-7-3-9-22-11-13-23-12-10-21-8-2-6-16/h2-13,16H2,1H3,(H,17,18).
What are the key properties of methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate?
methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate has a molecular weight of 334.41 g/mol, XLogP of -0.16, 16 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-4-oxobutanoate is sourced from PubChem (CID 135021489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).