2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid

C16H30N4O9 — CID 175665225

IUPAC2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid
SMILESCCOC(N)C(=O)NC(OCC)C(=O)NC(OCC)C(=O)NC(OCC)C(=O)O
InChIInChI=1S/C16H30N4O9/c1-5-26-9(17)10(21)18-13(27-6-2)11(22)19-14(28-7-3)12(23)20-15(16(24)25)29-8-4/h9,13-15H,5-8,17H2,1-4H3,(H,18,21)(H,19,22)(H,20,23)(H,24,25)
InChIKeyFZGCBYIZVHPSQL-UHFFFAOYSA-N
MW422.44 g/mol
LogP-2.17
Rot. Bonds15

About 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid

2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid (PubChem CID 175665225) has the molecular formula C16H30N4O9 and a molecular weight of 422.44 g/mol. Its IUPAC name is 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid.

Molecular Properties

Compound Name2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid
PubChem CID175665225
Molecular FormulaC16H30N4O9
Molecular Weight422.44 g/mol
Exact Mass422.20
IUPAC Name2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid
SMILESCCOC(N)C(=O)NC(OCC)C(=O)NC(OCC)C(=O)NC(OCC)C(=O)O
InChIInChI=1S/C16H30N4O9/c1-5-26-9(17)10(21)18-13(27-6-2)11(22)19-14(28-7-3)12(23)20-15(16(24)25)29-8-4/h9,13-15H,5-8,17H2,1-4H3,(H,18,21)(H,19,22)(H,20,23)(H,24,25)
InChIKeyFZGCBYIZVHPSQL-UHFFFAOYSA-N
XLogP-2.17
TPSA187.54 Ų
H-Bond Donors5
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 5-2.17
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid?
The IUPAC name of 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid (CID 175665225) is 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid.
What is the SMILES notation for 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid?
The canonical SMILES for 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid is CCOC(N)C(=O)NC(OCC)C(=O)NC(OCC)C(=O)NC(OCC)C(=O)O.
What is the InChIKey of 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid?
The InChIKey is FZGCBYIZVHPSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O9/c1-5-26-9(17)10(21)18-13(27-6-2)11(22)19-14(28-7-3)12(23)20-15(16(24)25)29-8-4/h9,13-15H,5-8,17H2,1-4H3,(H,18,21)(H,19,22)(H,20,23)(H,24,25).
What are the key properties of 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid?
2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid has a molecular weight of 422.44 g/mol, XLogP of -2.17, 15 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[(2-amino-2-ethoxyacetyl)amino]-2-ethoxyacetyl]amino]-2-ethoxyacetyl]amino]-2-ethoxyacetic acid is sourced from PubChem (CID 175665225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).