methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate

C12H24N2O5 — CID 118657519

IUPACmethyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
SMILESCNC(=O)CCN(CCOCCO)CCC(=O)OC
InChIInChI=1S/C12H24N2O5/c1-13-11(16)3-5-14(6-4-12(17)18-2)7-9-19-10-8-15/h15H,3-10H2,1-2H3,(H,13,16)
InChIKeyKXDADKKNEQQAIX-UHFFFAOYSA-N
MW276.33 g/mol
LogP-1.00
Rot. Bonds11

About methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate

methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate (PubChem CID 118657519) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
PubChem CID118657519
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Namemethyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate
SMILESCNC(=O)CCN(CCOCCO)CCC(=O)OC
InChIInChI=1S/C12H24N2O5/c1-13-11(16)3-5-14(6-4-12(17)18-2)7-9-19-10-8-15/h15H,3-10H2,1-2H3,(H,13,16)
InChIKeyKXDADKKNEQQAIX-UHFFFAOYSA-N
XLogP-1.00
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[2-(2-hydroxyethoxy)ethyl-methylamino]propanoate
CID 62010681
methyl 3-[(3-methoxy-3-oxopropyl)-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethyl]amino]propanoate
CID 153484901
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
methyl 2-[2-(2-hydroxyethoxy)ethyl-propylamino]acetate
CID 62013681
methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 78960557
2-[2-(2-hydroxyethoxy)ethoxy]-N-methylacetamide
CID 142368848
3-[bis(3-methoxy-3-oxopropyl)amino]propanoic acid
CID 172719871
3-[3-aminopropyl(2-methoxyethyl)amino]-N-methylpropanamide
CID 63287350
methyl 4-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]butanoate
CID 10586756
3-(dipropylamino)-N-methylpropanamide
CID 90814262
3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-[2-[bis[3-(methylamino)-3-oxopropyl]amino]ethyl-[3-(methylamino)-3-oxopropyl]amino]propyl]amino]-N-methylpropanamide
CID 167153611
N-methylmethanamine;bis(methyl 4-(methylamino)-4-oxobutanoate)
CID 90688519

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate?
The IUPAC name of methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate (CID 118657519) is methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate.
What is the SMILES notation for methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate?
The canonical SMILES for methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate is CNC(=O)CCN(CCOCCO)CCC(=O)OC.
What is the InChIKey of methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate?
The InChIKey is KXDADKKNEQQAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O5/c1-13-11(16)3-5-14(6-4-12(17)18-2)7-9-19-10-8-15/h15H,3-10H2,1-2H3,(H,13,16).
What are the key properties of methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate?
methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate has a molecular weight of 276.33 g/mol, XLogP of -1.00, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(2-hydroxyethoxy)ethyl-[3-(methylamino)-3-oxopropyl]amino]propanoate is sourced from PubChem (CID 118657519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).