6-[(2-ethoxyacetyl)amino]hexanoic acid

C10H19NO4 — CID 28777004

IUPAC6-[(2-ethoxyacetyl)amino]hexanoic acid
SMILESCCOCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-2-15-8-9(12)11-7-5-3-4-6-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyBDQZDBBJSLAGPB-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.78
Rot. Bonds9

About 6-[(2-ethoxyacetyl)amino]hexanoic acid

6-[(2-ethoxyacetyl)amino]hexanoic acid (PubChem CID 28777004) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 6-[(2-ethoxyacetyl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(2-ethoxyacetyl)amino]hexanoic acid
PubChem CID28777004
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name6-[(2-ethoxyacetyl)amino]hexanoic acid
SMILESCCOCC(=O)NCCCCCC(=O)O
InChIInChI=1S/C10H19NO4/c1-2-15-8-9(12)11-7-5-3-4-6-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14)
InChIKeyBDQZDBBJSLAGPB-UHFFFAOYSA-N
XLogP0.78
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-N-(8-oxodecyl)acetamide;molecular hydrogen
CID 171554520
18-[[6-(2-ethoxyethylamino)-6-oxohexyl]amino]-18-oxooctadecanoic acid
CID 176877409
11-[[2-[2-[2-[[(2S)-3-carboxy-2-[(2-ethoxyacetyl)amino]propanoyl]amino]ethoxy]ethoxy]acetyl]amino]undecanoic acid
CID 171747730
2-ethoxy-N-(6-iodohexyl)acetamide
CID 107848061
4-aminobutanamide;11-[[2-(2-ethoxyethoxy)acetyl]amino]undecanoic acid;N-methylmethanamine
CID 171093333
5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
CID 141090456
2-ethoxy-N-[8-(propan-2-ylamino)octyl]acetamide;molecular hydrogen
CID 162749920
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
16-(butanoylamino)hexadecanoic acid
CID 118711043
2-ethoxy-N-(3-hydroxypropyl)acetamide
CID 43419254
5-[[2-(2-aminoethoxy)acetyl]amino]pentanoic acid
CID 79479657
2-[2-[6-[[2-(carboxymethoxy)acetyl]amino]hexylamino]-2-oxoethoxy]acetic acid
CID 88852782

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethoxyacetyl)amino]hexanoic acid?
The IUPAC name of 6-[(2-ethoxyacetyl)amino]hexanoic acid (CID 28777004) is 6-[(2-ethoxyacetyl)amino]hexanoic acid.
What is the SMILES notation for 6-[(2-ethoxyacetyl)amino]hexanoic acid?
The canonical SMILES for 6-[(2-ethoxyacetyl)amino]hexanoic acid is CCOCC(=O)NCCCCCC(=O)O.
What is the InChIKey of 6-[(2-ethoxyacetyl)amino]hexanoic acid?
The InChIKey is BDQZDBBJSLAGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-2-15-8-9(12)11-7-5-3-4-6-10(13)14/h2-8H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 6-[(2-ethoxyacetyl)amino]hexanoic acid?
6-[(2-ethoxyacetyl)amino]hexanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.78, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethoxyacetyl)amino]hexanoic acid is sourced from PubChem (CID 28777004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).