methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate

C13H22N2O8 — CID 58479505

IUPACmethyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate
SMILESCOC(=O)CN(CCOC=O)CN(CCOC=O)CCOC=O
InChIInChI=1S/C13H22N2O8/c1-20-13(19)8-15(4-7-23-12-18)9-14(2-5-21-10-16)3-6-22-11-17/h10-12H,2-9H2,1H3
InChIKeyKYUUMFAMLWARLT-UHFFFAOYSA-N
MW334.32 g/mol
LogP-1.76
Rot. Bonds16

About methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate

methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate (PubChem CID 58479505) has the molecular formula C13H22N2O8 and a molecular weight of 334.32 g/mol. Its IUPAC name is methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate
PubChem CID58479505
Molecular FormulaC13H22N2O8
Molecular Weight334.32 g/mol
Exact Mass334.14
IUPAC Namemethyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate
SMILESCOC(=O)CN(CCOC=O)CN(CCOC=O)CCOC=O
InChIInChI=1S/C13H22N2O8/c1-20-13(19)8-15(4-7-23-12-18)9-14(2-5-21-10-16)3-6-22-11-17/h10-12H,2-9H2,1H3
InChIKeyKYUUMFAMLWARLT-UHFFFAOYSA-N
XLogP-1.76
TPSA111.68 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 5-1.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate?
The IUPAC name of methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate (CID 58479505) is methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate.
What is the SMILES notation for methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate?
The canonical SMILES for methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate is COC(=O)CN(CCOC=O)CN(CCOC=O)CCOC=O.
What is the InChIKey of methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate?
The InChIKey is KYUUMFAMLWARLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O8/c1-20-13(19)8-15(4-7-23-12-18)9-14(2-5-21-10-16)3-6-22-11-17/h10-12H,2-9H2,1H3.
What are the key properties of methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate?
methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate has a molecular weight of 334.32 g/mol, XLogP of -1.76, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[bis(2-formyloxyethyl)amino]methyl-(2-formyloxyethyl)amino]acetate is sourced from PubChem (CID 58479505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).