5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid

C29H66N10O4 — CID 140961640

IUPAC5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid
SMILESCCC(CC(C)(C)C(=O)OCCNCCNCCNCCNCCNCCNCCNCCNCCNCCN)C(=O)O
InChIInChI=1S/C29H66N10O4/c1-4-26(27(40)41)25-29(2,3)28(42)43-24-23-39-22-21-38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-10-9-32-8-7-31-6-5-30/h26,31-39H,4-25,30H2,1-3H3,(H,40,41)
InChIKeyWLSJNKGJARQTDV-UHFFFAOYSA-N
MW618.91 g/mol
LogP-2.68
Rot. Bonds34

About 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid

5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid (PubChem CID 140961640) has the molecular formula C29H66N10O4 and a molecular weight of 618.91 g/mol. Its IUPAC name is 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid
PubChem CID140961640
Molecular FormulaC29H66N10O4
Molecular Weight618.91 g/mol
Exact Mass618.53
IUPAC Name5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid
SMILESCCC(CC(C)(C)C(=O)OCCNCCNCCNCCNCCNCCNCCNCCNCCNCCN)C(=O)O
InChIInChI=1S/C29H66N10O4/c1-4-26(27(40)41)25-29(2,3)28(42)43-24-23-39-22-21-38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-10-9-32-8-7-31-6-5-30/h26,31-39H,4-25,30H2,1-3H3,(H,40,41)
InChIKeyWLSJNKGJARQTDV-UHFFFAOYSA-N
XLogP-2.68
TPSA197.89 Ų
H-Bond Donors11
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms43
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500618.91
LogP ≤ 5-2.68
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid (CID 140961640) is 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid is CCC(CC(C)(C)C(=O)OCCNCCNCCNCCNCCNCCNCCNCCNCCNCCN)C(=O)O.
What is the InChIKey of 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid?
The InChIKey is WLSJNKGJARQTDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H66N10O4/c1-4-26(27(40)41)25-29(2,3)28(42)43-24-23-39-22-21-38-20-19-37-18-17-36-16-15-35-14-13-34-12-11-33-10-9-32-8-7-31-6-5-30/h26,31-39H,4-25,30H2,1-3H3,(H,40,41).
What are the key properties of 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid?
5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid has a molecular weight of 618.91 g/mol, XLogP of -2.68, 34 rotatable bonds, 11 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethylamino]ethoxy]-2-ethyl-4,4-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 140961640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).