4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid

C8H15NO5 — CID 22689023

IUPAC4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCOCCO
InChIInChI=1S/C8H15NO5/c10-4-6-14-5-3-9-7(11)1-2-8(12)13/h10H,1-6H2,(H,9,11)(H,12,13)
InChIKeyNBSWGRPCKIOALO-UHFFFAOYSA-N
MW205.21 g/mol
LogP-1.02
Rot. Bonds8

About 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid

4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid (PubChem CID 22689023) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid
PubChem CID22689023
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)NCCOCCO
InChIInChI=1S/C8H15NO5/c10-4-6-14-5-3-9-7(11)1-2-8(12)13/h10H,1-6H2,(H,9,11)(H,12,13)
InChIKeyNBSWGRPCKIOALO-UHFFFAOYSA-N
XLogP-1.02
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-hydroxyethoxy)ethylamino]-4-oxobutanoic acid?
The IUPAC name of 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid (CID 22689023) is 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid is O=C(O)CCC(=O)NCCOCCO.
What is the InChIKey of 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid?
The InChIKey is NBSWGRPCKIOALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c10-4-6-14-5-3-9-7(11)1-2-8(12)13/h10H,1-6H2,(H,9,11)(H,12,13).
What are the key properties of 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid?
4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid has a molecular weight of 205.21 g/mol, XLogP of -1.02, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-hydroxyethoxy)ethylamino]-4-oxobutanoic acid is sourced from PubChem (CID 22689023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).