2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid

C14H28N2O7 — CID 58210426

IUPAC2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid
SMILESNCCCOCCOCCOCCCNC(=O)COCC(=O)O
InChIInChI=1S/C14H28N2O7/c15-3-1-5-20-7-9-22-10-8-21-6-2-4-16-13(17)11-23-12-14(18)19/h1-12,15H2,(H,16,17)(H,18,19)
InChIKeySPIMIHMQCKOJKF-UHFFFAOYSA-N
MW336.39 g/mol
LogP-1.01
Rot. Bonds17

About 2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid

2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid (PubChem CID 58210426) has the molecular formula C14H28N2O7 and a molecular weight of 336.39 g/mol. Its IUPAC name is 2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid
PubChem CID58210426
Molecular FormulaC14H28N2O7
Molecular Weight336.39 g/mol
Exact Mass336.19
IUPAC Name2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid
SMILESNCCCOCCOCCOCCCNC(=O)COCC(=O)O
InChIInChI=1S/C14H28N2O7/c15-3-1-5-20-7-9-22-10-8-21-6-2-4-16-13(17)11-23-12-14(18)19/h1-12,15H2,(H,16,17)(H,18,19)
InChIKeySPIMIHMQCKOJKF-UHFFFAOYSA-N
XLogP-1.01
TPSA129.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.39
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
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-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid (CID 58210426) is 2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid is NCCCOCCOCCOCCCNC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid?
The InChIKey is SPIMIHMQCKOJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O7/c15-3-1-5-20-7-9-22-10-8-21-6-2-4-16-13(17)11-23-12-14(18)19/h1-12,15H2,(H,16,17)(H,18,19).
What are the key properties of 2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid?
2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid has a molecular weight of 336.39 g/mol, XLogP of -1.01, 17 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-[2-[2-(3-aminopropoxy)ethoxy]ethoxy]propylamino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 58210426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).