6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid

C11H17N3O3 — CID 61325108

IUPAC6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCCn1ccnc1
InChIInChI=1S/C11H17N3O3/c15-10(3-1-2-4-11(16)17)13-6-8-14-7-5-12-9-14/h5,7,9H,1-4,6,8H2,(H,13,15)(H,16,17)
InChIKeyMDOYINUUQKQDNH-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.64
Rot. Bonds8

About 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid

6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid (PubChem CID 61325108) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid.

Molecular Properties

Compound Name6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
PubChem CID61325108
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid
SMILESO=C(O)CCCCC(=O)NCCn1ccnc1
InChIInChI=1S/C11H17N3O3/c15-10(3-1-2-4-11(16)17)13-6-8-14-7-5-12-9-14/h5,7,9H,1-4,6,8H2,(H,13,15)(H,16,17)
InChIKeyMDOYINUUQKQDNH-UHFFFAOYSA-N
XLogP0.64
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-(2-imidazol-1-ylethylamino)-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

6-(2-imidazol-1-ylethylcarbamoylamino)hexanoic acid
CID 61461843
4-(3-imidazol-1-ylpropylcarbamoylamino)butanoic acid
CID 61184653
7-amino-N-(3-imidazol-1-ylpropyl)heptanamide
CID 28994147
N-(3-imidazol-1-ylpropyl)tridecanamide
CID 142486027
3-imidazol-1-ylpropanoic acid;hydrate
CID 174578472
4-(3-imidazol-1-ylpropylamino)-4-oxobutanoate
CID 7009162
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
N-(2-imidazol-1-ylethyl)-2-methoxyacetamide
CID 60724975
3-amino-N-(2-imidazol-1-ylethyl)-3-sulfanylidenepropanamide
CID 61460885
2-imidazol-1-ylethylurea
CID 61061185
2-[2-(4-imidazol-1-ylbutylamino)-2-oxoethyl]sulfanylacetic acid
CID 104569804
4-imidazol-1-yl-N-(2-pyridin-4-ylethyl)butanamide
CID 90648227

Frequently Asked Questions

What is the IUPAC name of 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid?
The IUPAC name of 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid (CID 61325108) is 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid.
What is the SMILES notation for 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid?
The canonical SMILES for 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid is O=C(O)CCCCC(=O)NCCn1ccnc1.
What is the InChIKey of 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid?
The InChIKey is MDOYINUUQKQDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c15-10(3-1-2-4-11(16)17)13-6-8-14-7-5-12-9-14/h5,7,9H,1-4,6,8H2,(H,13,15)(H,16,17).
What are the key properties of 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid?
6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid has a molecular weight of 239.27 g/mol, XLogP of 0.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-imidazol-1-ylethylamino)-6-oxohexanoic acid is sourced from PubChem (CID 61325108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).