3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid

C14H26N2O6 — CID 135199713

IUPAC3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid
SMILESO=CNCCCCCC(=O)NCCOCCOCCC(=O)O
InChIInChI=1S/C14H26N2O6/c17-12-15-6-3-1-2-4-13(18)16-7-9-22-11-10-21-8-5-14(19)20/h12H,1-11H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyBSWFZHALOWAGAD-UHFFFAOYSA-N
MW318.37 g/mol
LogP-0.08
Rot. Bonds16

About 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid

3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid (PubChem CID 135199713) has the molecular formula C14H26N2O6 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid.

Molecular Properties

Compound Name3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid
PubChem CID135199713
Molecular FormulaC14H26N2O6
Molecular Weight318.37 g/mol
Exact Mass318.18
IUPAC Name3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid
SMILESO=CNCCCCCC(=O)NCCOCCOCCC(=O)O
InChIInChI=1S/C14H26N2O6/c17-12-15-6-3-1-2-4-13(18)16-7-9-22-11-10-21-8-5-14(19)20/h12H,1-11H2,(H,15,17)(H,16,18)(H,19,20)
InChIKeyBSWFZHALOWAGAD-UHFFFAOYSA-N
XLogP-0.08
TPSA113.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

16-oxo-16-[2-[2-[2-(4-oxobutanoylamino)ethoxy]ethoxy]ethylamino]hexadecanoic acid
CID 173042619
3-[2-[2-[2-[3-[3-[3-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 123748562
3-[2-[2-[2-[8-[3-[3-[3-[[7-[2-[2-[2-(2-carboxyethoxy)ethoxy]ethoxy]ethylamino]-7-oxoheptyl]amino]-3-oxopropoxy]-2,2-dimethylpropoxy]propanoylamino]octanoylamino]ethoxy]ethoxy]ethoxy]propanoic acid
CID 146548060
16-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-16-oxohexadecanoic acid
CID 167312728
20-[2-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethoxy]ethylamino]-20-oxoicosanoic acid
CID 167312677
3-(3-formamidopropoxy)-N-[2-(3-oxopropoxy)ethyl]propanamide
CID 167464067
3-[2-[2-[2-[2-[6-[[(Z)-4-methoxy-4-oxobut-2-enoyl]amino]hexanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 146387622
16-oxo-16-(2-propoxyethylamino)hexadecanoic acid
CID 122592174
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-(8-formamidooctanoylamino)ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 135199706
3-[2-[2-[2-(butanoylamino)ethoxy]ethoxy]ethoxy]propanoic acid
CID 175775195
20-oxo-20-[2-[2-[2-oxo-2-[2-[2-(2-oxoethoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]icosanoic acid
CID 123822087
8-[3-[2-[2-[2-[3-[3-[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]-2-[[3-[2-[2-[2-[3-(7-carboxyheptylamino)-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]methyl]-2-methylpropoxy]propanoylamino]ethoxy]ethoxy]ethoxy]propanoylamino]octanoic acid
CID 118440317

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid?
The IUPAC name of 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid (CID 135199713) is 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid.
What is the SMILES notation for 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid?
The canonical SMILES for 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid is O=CNCCCCCC(=O)NCCOCCOCCC(=O)O.
What is the InChIKey of 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid?
The InChIKey is BSWFZHALOWAGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O6/c17-12-15-6-3-1-2-4-13(18)16-7-9-22-11-10-21-8-5-14(19)20/h12H,1-11H2,(H,15,17)(H,16,18)(H,19,20).
What are the key properties of 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid?
3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid has a molecular weight of 318.37 g/mol, XLogP of -0.08, 16 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(6-formamidohexanoylamino)ethoxy]ethoxy]propanoic acid is sourced from PubChem (CID 135199713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).