2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid

C10H16N2O6 — CID 2727858

IUPAC2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCCCC(=O)NCC(=O)O
InChIInChI=1S/C10H16N2O6/c13-7(11-5-9(15)16)3-1-2-4-8(14)12-6-10(17)18/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)
InChIKeyGOKWUADLSJKZAA-UHFFFAOYSA-N
MW260.25 g/mol
LogP-1.05
Rot. Bonds9

About 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid

2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid (PubChem CID 2727858) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid
PubChem CID2727858
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCCCC(=O)NCC(=O)O
InChIInChI=1S/C10H16N2O6/c13-7(11-5-9(15)16)3-1-2-4-8(14)12-6-10(17)18/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18)
InChIKeyGOKWUADLSJKZAA-UHFFFAOYSA-N
XLogP-1.05
TPSA132.80 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
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 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid?
The IUPAC name of 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid (CID 2727858) is 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid?
The canonical SMILES for 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid is O=C(O)CNC(=O)CCCCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid?
The InChIKey is GOKWUADLSJKZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c13-7(11-5-9(15)16)3-1-2-4-8(14)12-6-10(17)18/h1-6H2,(H,11,13)(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid?
2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid has a molecular weight of 260.25 g/mol, XLogP of -1.05, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(carboxymethylamino)-6-oxohexanoyl]amino]acetic acid is sourced from PubChem (CID 2727858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).