6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid

C10H16N2O6 — CID 174808609

IUPAC6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid
SMILESNC(=O)CCC(=O)NOC(=O)CCCCC(=O)O
InChIInChI=1S/C10H16N2O6/c11-7(13)5-6-8(14)12-18-10(17)4-2-1-3-9(15)16/h1-6H2,(H2,11,13)(H,12,14)(H,15,16)
InChIKeySFMIESIIXYJRCU-UHFFFAOYSA-N
MW260.25 g/mol
LogP-0.53
Rot. Bonds8

About 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid

6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid (PubChem CID 174808609) has the molecular formula C10H16N2O6 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid.

Molecular Properties

Compound Name6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid
PubChem CID174808609
Molecular FormulaC10H16N2O6
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid
SMILESNC(=O)CCC(=O)NOC(=O)CCCCC(=O)O
InChIInChI=1S/C10H16N2O6/c11-7(13)5-6-8(14)12-18-10(17)4-2-1-3-9(15)16/h1-6H2,(H2,11,13)(H,12,14)(H,15,16)
InChIKeySFMIESIIXYJRCU-UHFFFAOYSA-N
XLogP-0.53
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(4-amino-4-oxobutanoyl)amino] hexadecanoate
CID 87091320
5-(carbamoylamino)oxy-5-oxopentanoic acid
CID 175122695
calcium;hydride;10-(octadecanoylamino)oxy-10-oxodecanoic acid
CID 173298911
(octadecanoylamino) 4-amino-4-oxobutanoate
CID 175587218
34-amino-34-oxotetratriacontanoic acid
CID 139682719
24-amino-24-oxotetracosanoic acid
CID 139682769
10-(2-aminoethylamino)oxy-10-oxodecanoic acid
CID 57065970
9-(8-carboxyoctanoyloxymethoxy)-9-oxononanoic acid
CID 87582050
10-amino-10-oxodecanoic acid;cyclohexane
CID 67918729
azane;6-(5-carboxypentanoyloxymethoxy)-6-oxohexanoic acid
CID 173386370
4-(acetyloxyamino)-4-oxobutanoic acid
CID 139972378
bis(6-[6-(5-carboxypentanoyloxy)-6-oxohexanoyl]oxy-6-oxohexanoic acid);hexanedioic acid
CID 135365156

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid?
The IUPAC name of 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid (CID 174808609) is 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid.
What is the SMILES notation for 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid?
The canonical SMILES for 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid is NC(=O)CCC(=O)NOC(=O)CCCCC(=O)O.
What is the InChIKey of 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid?
The InChIKey is SFMIESIIXYJRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6/c11-7(13)5-6-8(14)12-18-10(17)4-2-1-3-9(15)16/h1-6H2,(H2,11,13)(H,12,14)(H,15,16).
What are the key properties of 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid?
6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid has a molecular weight of 260.25 g/mol, XLogP of -0.53, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-4-oxobutanoyl)amino]oxy-6-oxohexanoic acid is sourced from PubChem (CID 174808609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).