bis(2-aminoethanol);2-undecylpropanedioic acid

C18H40N2O6 — CID 173051434

IUPACbis(2-aminoethanol);2-undecylpropanedioic acid
SMILESCCCCCCCCCCCC(C(=O)O)C(=O)O.NCCO.NCCO
InChIInChI=1S/C14H26O4.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18;2*3-1-2-4/h12H,2-11H2,1H3,(H,15,16)(H,17,18);2*4H,1-3H2
InChIKeyJAYBOJVOYUOJAI-UHFFFAOYSA-N
MW380.53 g/mol
LogP1.57
Rot. Bonds14

About bis(2-aminoethanol);2-undecylpropanedioic acid

bis(2-aminoethanol);2-undecylpropanedioic acid (PubChem CID 173051434) has the molecular formula C18H40N2O6 and a molecular weight of 380.53 g/mol. Its IUPAC name is bis(2-aminoethanol);2-undecylpropanedioic acid.

Molecular Properties

Compound Namebis(2-aminoethanol);2-undecylpropanedioic acid
PubChem CID173051434
Molecular FormulaC18H40N2O6
Molecular Weight380.53 g/mol
Exact Mass380.29
IUPAC Namebis(2-aminoethanol);2-undecylpropanedioic acid
SMILESCCCCCCCCCCCC(C(=O)O)C(=O)O.NCCO.NCCO
InChIInChI=1S/C14H26O4.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18;2*3-1-2-4/h12H,2-11H2,1H3,(H,15,16)(H,17,18);2*4H,1-3H2
InChIKeyJAYBOJVOYUOJAI-UHFFFAOYSA-N
XLogP1.57
TPSA167.10 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.53
LogP ≤ 51.57
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-decylpropanedioic acid;ethane-1,2-diol
CID 174702974
2-nonacosylpropanedioic acid
CID 19851286
2-octylpropanedioic acid
CID 12972
2-icosylpropanedioic acid
CID 11582738
calcium;2-dodecylpropanedioic acid;hydride
CID 174967778
magnesium;2-decylpropanedioic acid;hydride
CID 174968780
2-(8-nonyl-9-octyloctadecyl)propanedioic acid
CID 142769459
2-carbamoylhexadecanoic acid
CID 172818471
2-(7-aminoheptyl)propanedioic acid
CID 90276909
2-(11-aminoundecyl)propanedioic acid
CID 87187189
2-[6-[decyl(3-hydroxypropyl)amino]hexyl]propanedioic acid
CID 175979661
dodecanedioic acid;2-undecylpropanedioic acid
CID 160978167

Frequently Asked Questions

What is the IUPAC name of bis(2-aminoethanol);2-undecylpropanedioic acid?
The IUPAC name of bis(2-aminoethanol);2-undecylpropanedioic acid (CID 173051434) is bis(2-aminoethanol);2-undecylpropanedioic acid.
What is the SMILES notation for bis(2-aminoethanol);2-undecylpropanedioic acid?
The canonical SMILES for bis(2-aminoethanol);2-undecylpropanedioic acid is CCCCCCCCCCCC(C(=O)O)C(=O)O.NCCO.NCCO.
What is the InChIKey of bis(2-aminoethanol);2-undecylpropanedioic acid?
The InChIKey is JAYBOJVOYUOJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O4.2C2H7NO/c1-2-3-4-5-6-7-8-9-10-11-12(13(15)16)14(17)18;2*3-1-2-4/h12H,2-11H2,1H3,(H,15,16)(H,17,18);2*4H,1-3H2.
What are the key properties of bis(2-aminoethanol);2-undecylpropanedioic acid?
bis(2-aminoethanol);2-undecylpropanedioic acid has a molecular weight of 380.53 g/mol, XLogP of 1.57, 14 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-aminoethanol);2-undecylpropanedioic acid is sourced from PubChem (CID 173051434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).