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

C22H47N3O2 — CID 10091506

IUPAC2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
SMILESCCCCCCCCCCCCCCCCNCCNCCNCC(=O)O
InChIInChI=1S/C22H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-18-24-19-20-25-21-22(26)27/h23-25H,2-21H2,1H3,(H,26,27)
InChIKeyACGWDKQZTFRUKO-UHFFFAOYSA-N
MW385.64 g/mol
LogP4.32
Rot. Bonds23

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

2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid (PubChem CID 10091506) has the molecular formula C22H47N3O2 and a molecular weight of 385.64 g/mol. Its IUPAC name is 2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid.

Molecular Properties

Compound Name2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
PubChem CID10091506
Molecular FormulaC22H47N3O2
Molecular Weight385.64 g/mol
Exact Mass385.37
IUPAC Name2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid
SMILESCCCCCCCCCCCCCCCCNCCNCCNCC(=O)O
InChIInChI=1S/C22H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-18-24-19-20-25-21-22(26)27/h23-25H,2-21H2,1H3,(H,26,27)
InChIKeyACGWDKQZTFRUKO-UHFFFAOYSA-N
XLogP4.32
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.64
LogP ≤ 54.32
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

2-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(tetradecylamino)butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]butylamino]acetic acid
CID 175074033
sodium;2-(hexadecylamino)acetic acid;hydride
CID 174739572
3-[2-(nonylamino)ethylamino]propanoic acid
CID 102117285
12-(pentylamino)dodecanoic acid
CID 57245176
6-(hentetracontylamino)hexanoic acid
CID 146291055
6-(hexylamino)hexanoic acid
CID 18001086
decanedioic acid;N-hexylhexan-1-amine
CID 88745136
5-(nonylamino)pentanoic acid
CID 134497749
18-[4-(pentatriacontylamino)butylamino]octadecanoic acid
CID 151140565
13-(hexylamino)tridecanoic acid
CID 21488721
carbonic acid;N-hexylhexan-1-amine
CID 174995198
azane;3-(dodecylamino)propanoic acid
CID 174643455

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid?
The IUPAC name of 2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid (CID 10091506) is 2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid.
What is the SMILES notation for 2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid?
The canonical SMILES for 2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid is CCCCCCCCCCCCCCCCNCCNCCNCC(=O)O.
What is the InChIKey of 2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid?
The InChIKey is ACGWDKQZTFRUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-17-18-24-19-20-25-21-22(26)27/h23-25H,2-21H2,1H3,(H,26,27).
What are the key properties of 2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid?
2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid has a molecular weight of 385.64 g/mol, XLogP of 4.32, 23 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(hexadecylamino)ethylamino]ethylamino]acetic acid is sourced from PubChem (CID 10091506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).