2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid

C15H29N3O7 — CID 135353043

IUPAC2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NC(=O)CCOCCOCCOCCN)C(=O)O
InChIInChI=1S/C15H29N3O7/c1-11(14(20)18-12(2)15(21)22)17-13(19)3-5-23-7-9-25-10-8-24-6-4-16/h11-12H,3-10,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyXIQDECUMDCJOEC-UHFFFAOYSA-N
MW363.41 g/mol
LogP-1.52
Rot. Bonds15

About 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid

2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid (PubChem CID 135353043) has the molecular formula C15H29N3O7 and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid
PubChem CID135353043
Molecular FormulaC15H29N3O7
Molecular Weight363.41 g/mol
Exact Mass363.20
IUPAC Name2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid
SMILESCC(NC(=O)C(C)NC(=O)CCOCCOCCOCCN)C(=O)O
InChIInChI=1S/C15H29N3O7/c1-11(14(20)18-12(2)15(21)22)17-13(19)3-5-23-7-9-25-10-8-24-6-4-16/h11-12H,3-10,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22)
InChIKeyXIQDECUMDCJOEC-UHFFFAOYSA-N
XLogP-1.52
TPSA149.21 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid?
The IUPAC name of 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid (CID 135353043) is 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid.
What is the SMILES notation for 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid?
The canonical SMILES for 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid is CC(NC(=O)C(C)NC(=O)CCOCCOCCOCCN)C(=O)O.
What is the InChIKey of 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid?
The InChIKey is XIQDECUMDCJOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O7/c1-11(14(20)18-12(2)15(21)22)17-13(19)3-5-23-7-9-25-10-8-24-6-4-16/h11-12H,3-10,16H2,1-2H3,(H,17,19)(H,18,20)(H,21,22).
What are the key properties of 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid?
2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid has a molecular weight of 363.41 g/mol, XLogP of -1.52, 15 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propanoylamino]propanoylamino]propanoic acid is sourced from PubChem (CID 135353043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).