2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid

C22H44N2O4 — CID 22102023

IUPAC2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NN(CCO)CC(=O)O
InChIInChI=1S/C22H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)23-24(18-19-25)20-22(27)28/h25H,2-20H2,1H3,(H,23,26)(H,27,28)
InChIKeyGRZBFKXFUXNZDB-UHFFFAOYSA-N
MW400.60 g/mol
LogP4.66
Rot. Bonds21

About 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid

2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid (PubChem CID 22102023) has the molecular formula C22H44N2O4 and a molecular weight of 400.60 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid.

Molecular Properties

Compound Name2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid
PubChem CID22102023
Molecular FormulaC22H44N2O4
Molecular Weight400.60 g/mol
Exact Mass400.33
IUPAC Name2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid
SMILESCCCCCCCCCCCCCCCCCC(=O)NN(CCO)CC(=O)O
InChIInChI=1S/C22H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)23-24(18-19-25)20-22(27)28/h25H,2-20H2,1H3,(H,23,26)(H,27,28)
InChIKeyGRZBFKXFUXNZDB-UHFFFAOYSA-N
XLogP4.66
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.60
LogP ≤ 54.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-hydroxyethyl)-N'-propylhexadecanehydrazide
CID 175534170
N'-(2-hydroxyethyl)-N'-methyldodecanehydrazide
CID 175333328
N',N'-diethylhexadecanehydrazide
CID 141450549
azanium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 23173744
sodium 2-[2-(dodecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid
CID 22359060
sodium;2-[2-(hexadecanoylamino)ethyl-(2-hydroxyethyl)amino]acetic acid;hydride
CID 173090653
2-[methyl-[3-(octadecanoylamino)propyl]amino]acetic acid
CID 154414053
2-[2-hydroxyethyl(4-oxopentadecyl)amino]acetic acid
CID 58572256
2-(dimethylamino)ethanol;octacosanoic acid
CID 71441848
2-[2-hydroxyethyl-[1-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]acetic acid
CID 141398298
3-[decanoyl(2-hydroxyethyl)amino]propanoic acid
CID 132595707
(Z)-N',N'-diethyloctadec-9-enehydrazide
CID 88708454

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid?
The IUPAC name of 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid (CID 22102023) is 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid.
What is the SMILES notation for 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid?
The canonical SMILES for 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid is CCCCCCCCCCCCCCCCCC(=O)NN(CCO)CC(=O)O.
What is the InChIKey of 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid?
The InChIKey is GRZBFKXFUXNZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H44N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)23-24(18-19-25)20-22(27)28/h25H,2-20H2,1H3,(H,23,26)(H,27,28).
What are the key properties of 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid?
2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid has a molecular weight of 400.60 g/mol, XLogP of 4.66, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-(octadecanoylamino)amino]acetic acid is sourced from PubChem (CID 22102023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).