6-(chloroamino)-6-oxohexanoic acid

C6H10ClNO3 — CID 88749492

IUPAC6-(chloroamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCl
InChIInChI=1S/C6H10ClNO3/c7-8-5(9)3-1-2-4-6(10)11/h1-4H2,(H,8,9)(H,10,11)
InChIKeyIUDMIVKKAKFVEV-UHFFFAOYSA-N
MW179.60 g/mol
LogP0.90
Rot. Bonds5

About 6-(chloroamino)-6-oxohexanoic acid

6-(chloroamino)-6-oxohexanoic acid (PubChem CID 88749492) has the molecular formula C6H10ClNO3 and a molecular weight of 179.60 g/mol. Its IUPAC name is 6-(chloroamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(chloroamino)-6-oxohexanoic acid
PubChem CID88749492
Molecular FormulaC6H10ClNO3
Molecular Weight179.60 g/mol
Exact Mass179.03
IUPAC Name6-(chloroamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCl
InChIInChI=1S/C6H10ClNO3/c7-8-5(9)3-1-2-4-6(10)11/h1-4H2,(H,8,9)(H,10,11)
InChIKeyIUDMIVKKAKFVEV-UHFFFAOYSA-N
XLogP0.90
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.60
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(chloroamino)-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

20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tridecanedioic acid;undecanedioic acid
CID 158333715
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
azane;hexanedioic acid
CID 14323449
triacontanedioic acid
CID 5322010
CID 87067075
CID 87067075

Frequently Asked Questions

What is the IUPAC name of 6-(chloroamino)-6-oxohexanoic acid?
The IUPAC name of 6-(chloroamino)-6-oxohexanoic acid (CID 88749492) is 6-(chloroamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(chloroamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(chloroamino)-6-oxohexanoic acid is O=C(O)CCCCC(=O)NCl.
What is the InChIKey of 6-(chloroamino)-6-oxohexanoic acid?
The InChIKey is IUDMIVKKAKFVEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClNO3/c7-8-5(9)3-1-2-4-6(10)11/h1-4H2,(H,8,9)(H,10,11).
What are the key properties of 6-(chloroamino)-6-oxohexanoic acid?
6-(chloroamino)-6-oxohexanoic acid has a molecular weight of 179.60 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloroamino)-6-oxohexanoic acid is sourced from PubChem (CID 88749492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).