2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid

C22H45N3O10 — CID 88542576

IUPAC2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid
SMILESNCCOCCOCC(COCCOCCNCC(O)CC1CO1)COCCOCCNC(=O)O
InChIInChI=1S/C22H45N3O10/c23-1-4-29-7-10-32-15-19(17-34-12-9-31-6-3-25-22(27)28)16-33-11-8-30-5-2-24-14-20(26)13-21-18-35-21/h19-21,24-26H,1-18,23H2,(H,27,28)
InChIKeySXTBEPTWBDXMIF-UHFFFAOYSA-N
MW511.61 g/mol
LogP-1.33
Rot. Bonds27

About 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid

2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid (PubChem CID 88542576) has the molecular formula C22H45N3O10 and a molecular weight of 511.61 g/mol. Its IUPAC name is 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid.

Molecular Properties

Compound Name2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid
PubChem CID88542576
Molecular FormulaC22H45N3O10
Molecular Weight511.61 g/mol
Exact Mass511.31
IUPAC Name2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid
SMILESNCCOCCOCC(COCCOCCNCC(O)CC1CO1)COCCOCCNC(=O)O
InChIInChI=1S/C22H45N3O10/c23-1-4-29-7-10-32-15-19(17-34-12-9-31-6-3-25-22(27)28)16-33-11-8-30-5-2-24-14-20(26)13-21-18-35-21/h19-21,24-26H,1-18,23H2,(H,27,28)
InChIKeySXTBEPTWBDXMIF-UHFFFAOYSA-N
XLogP-1.33
TPSA175.52 Ų
H-Bond Donors5
H-Bond Acceptors11
Rotatable Bonds27
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.61
LogP ≤ 5-1.33
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid?
The IUPAC name of 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid (CID 88542576) is 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid.
What is the SMILES notation for 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid?
The canonical SMILES for 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid is NCCOCCOCC(COCCOCCNCC(O)CC1CO1)COCCOCCNC(=O)O.
What is the InChIKey of 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid?
The InChIKey is SXTBEPTWBDXMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H45N3O10/c23-1-4-29-7-10-32-15-19(17-34-12-9-31-6-3-25-22(27)28)16-33-11-8-30-5-2-24-14-20(26)13-21-18-35-21/h19-21,24-26H,1-18,23H2,(H,27,28).
What are the key properties of 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid?
2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid has a molecular weight of 511.61 g/mol, XLogP of -1.33, 27 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(2-aminoethoxy)ethoxymethyl]-3-[2-[2-[[2-hydroxy-3-(oxiran-2-yl)propyl]amino]ethoxy]ethoxy]propoxy]ethoxy]ethylcarbamic acid is sourced from PubChem (CID 88542576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).