2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate

C10H21NO7 — CID 161393191

IUPAC2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate
SMILESCOCCOC(=O)CCN(CCOO)CCOO
InChIInChI=1S/C10H21NO7/c1-15-8-9-16-10(12)2-3-11(4-6-17-13)5-7-18-14/h13-14H,2-9H2,1H3
InChIKeyVTGKDZHBVOHUNV-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.15
Rot. Bonds12

About 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate

2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate (PubChem CID 161393191) has the molecular formula C10H21NO7 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate.

Molecular Properties

Compound Name2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate
PubChem CID161393191
Molecular FormulaC10H21NO7
Molecular Weight267.28 g/mol
Exact Mass267.13
IUPAC Name2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate
SMILESCOCCOC(=O)CCN(CCOO)CCOO
InChIInChI=1S/C10H21NO7/c1-15-8-9-16-10(12)2-3-11(4-6-17-13)5-7-18-14/h13-14H,2-9H2,1H3
InChIKeyVTGKDZHBVOHUNV-UHFFFAOYSA-N
XLogP-0.15
TPSA97.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-acetyloxyethyl 3-[bis(2-methoxyethyl)amino]propanoate
CID 23544922
2-methoxyethyl 3-[[3-(2-methoxyethoxy)-3-oxopropyl]-[2-(methylamino)ethyl]amino]propanoate
CID 169151963
2-methoxyethyl 3-[3-(dimethylamino)propyl-[3-[2-[2-[2-[2-[3-[3-(dimethylamino)propyl-[3-[2-(2-methoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoyloxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxopropyl]amino]propanoate
CID 176880518
tetradecyl 3-[3-methoxypropyl-(3-oxo-3-tetradecoxypropyl)amino]propanoate
CID 58566875
butyl 3-[bis(3-butoxy-3-oxopropyl)amino]propanoate
CID 59204058
2-(2-methoxyethoxy)ethyl 3-[6-[bis[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]hexyl-[3-[2-(2-ethenoxyethoxy)ethoxy]-3-oxopropyl]amino]propanoate
CID 156821481
butyl 3-[5-hydroxypentyl-[3-[6-[3-[5-hydroxypentyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoyloxy]hexoxy]-3-oxopropyl]amino]propanoate
CID 176880609
propyl 3-[3-butylsulfanylpropyl-[3-(2-methoxyethoxy)-3-oxopropyl]amino]propanoate
CID 165003528
4-[bis(2-methoxyethyl)amino]butan-2-one
CID 60649279
2-ethoxyethyl 3-[bis(2-acetyloxyethyl)amino]propanoate
CID 23544927
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
ethyl 3-[2-ethoxyethyl-(3-ethoxy-3-oxopropyl)amino]propanoate
CID 151749760

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate?
The IUPAC name of 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate (CID 161393191) is 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate.
What is the SMILES notation for 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate?
The canonical SMILES for 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate is COCCOC(=O)CCN(CCOO)CCOO.
What is the InChIKey of 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate?
The InChIKey is VTGKDZHBVOHUNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO7/c1-15-8-9-16-10(12)2-3-11(4-6-17-13)5-7-18-14/h13-14H,2-9H2,1H3.
What are the key properties of 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate?
2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate has a molecular weight of 267.28 g/mol, XLogP of -0.15, 12 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 3-[bis(2-hydroperoxyethyl)amino]propanoate is sourced from PubChem (CID 161393191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).