4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid

C14H24N2O8 — CID 90165985

IUPAC4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)O
InChIInChI=1S/C14H24N2O8/c17-11(1-3-13(19)20)15-5-7-23-9-10-24-8-6-16-12(18)2-4-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)
InChIKeyMRURVGLSCKHLSO-UHFFFAOYSA-N
MW348.35 g/mol
LogP-1.02
Rot. Bonds15

About 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid

4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid (PubChem CID 90165985) has the molecular formula C14H24N2O8 and a molecular weight of 348.35 g/mol. Its IUPAC name is 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
PubChem CID90165985
Molecular FormulaC14H24N2O8
Molecular Weight348.35 g/mol
Exact Mass348.15
IUPAC Name4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)O
InChIInChI=1S/C14H24N2O8/c17-11(1-3-13(19)20)15-5-7-23-9-10-24-8-6-16-12(18)2-4-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22)
InChIKeyMRURVGLSCKHLSO-UHFFFAOYSA-N
XLogP-1.02
TPSA151.26 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 5-1.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid (CID 90165985) is 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NCCOCCOCCNC(=O)CCC(=O)O.
What is the InChIKey of 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid?
The InChIKey is MRURVGLSCKHLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O8/c17-11(1-3-13(19)20)15-5-7-23-9-10-24-8-6-16-12(18)2-4-14(21)22/h1-10H2,(H,15,17)(H,16,18)(H,19,20)(H,21,22).
What are the key properties of 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid?
4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid has a molecular weight of 348.35 g/mol, XLogP of -1.02, 15 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-[2-(3-carboxypropanoylamino)ethoxy]ethoxy]ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 90165985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).