2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid

C18H39N3O2 — CID 23280

IUPAC2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid
SMILESCCCCCCCCCCCCNCCNCCNCC(=O)O
InChIInChI=1S/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23/h19-21H,2-17H2,1H3,(H,22,23)
InChIKeyFSKNXCHJIFBRBT-UHFFFAOYSA-N
MW329.53 g/mol
LogP2.76
Rot. Bonds19

About 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid

2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid (PubChem CID 23280) has the molecular formula C18H39N3O2 and a molecular weight of 329.53 g/mol. Its IUPAC name is 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid
PubChem CID23280
Molecular FormulaC18H39N3O2
Molecular Weight329.53 g/mol
Exact Mass329.30
IUPAC Name2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid
SMILESCCCCCCCCCCCCNCCNCCNCC(=O)O
InChIInChI=1S/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23/h19-21H,2-17H2,1H3,(H,22,23)
InChIKeyFSKNXCHJIFBRBT-UHFFFAOYSA-N
XLogP2.76
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 52.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Glycine, N-dodecyl-
CID 16771
N-[3-(dodecylamino)propyl]glycine
CID 118678
2-[2-(Carboxymethylamino)ethylamino]ethyl-dodecylazanium;chloride
CID 37576
N-[3-(dodecylamino)propyl]glycine hydrochloride
CID 3022346
N-Octylglycine
CID 350339
2-(2-Aminohexadecylamino)acetic acid
CID 44322385
N-Heptylglycine--hydrogen chloride (1/1)
CID 24186932
2-[2-Aminohexadecyl(carboxymethyl)amino]acetic acid
CID 44322224
N-Undecylglycine
CID 3019755
Glycine, N-octadecyl-
CID 3480557
N-hexadecylglycine
CID 11130339
n-Decylglycine
CID 230083

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid (CID 23280) is 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid is CCCCCCCCCCCCNCCNCCNCC(=O)O.
What is the InChIKey of 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid?
The InChIKey is FSKNXCHJIFBRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-19-13-14-20-15-16-21-17-18(22)23/h19-21H,2-17H2,1H3,(H,22,23).
What are the key properties of 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid?
2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid has a molecular weight of 329.53 g/mol, XLogP of 2.76, 19 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(dodecylamino)ethylamino]ethylamino]acetic acid is sourced from PubChem (CID 23280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).