2-(3-imidazol-1-ylhexanoylamino)acetic acid

C11H17N3O3 — CID 43354558

IUPAC2-(3-imidazol-1-ylhexanoylamino)acetic acid
SMILESCCCC(CC(=O)NCC(=O)O)n1ccnc1
InChIInChI=1S/C11H17N3O3/c1-2-3-9(14-5-4-12-8-14)6-10(15)13-7-11(16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyXLBJGNNCYUJSLY-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.82
Rot. Bonds7

About 2-(3-imidazol-1-ylhexanoylamino)acetic acid

2-(3-imidazol-1-ylhexanoylamino)acetic acid (PubChem CID 43354558) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(3-imidazol-1-ylhexanoylamino)acetic acid.

Molecular Properties

Compound Name2-(3-imidazol-1-ylhexanoylamino)acetic acid
PubChem CID43354558
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-(3-imidazol-1-ylhexanoylamino)acetic acid
SMILESCCCC(CC(=O)NCC(=O)O)n1ccnc1
InChIInChI=1S/C11H17N3O3/c1-2-3-9(14-5-4-12-8-14)6-10(15)13-7-11(16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,15)(H,16,17)
InChIKeyXLBJGNNCYUJSLY-UHFFFAOYSA-N
XLogP0.82
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-ethyl-2-(hydroxymethyl)butyl]-3-imidazol-1-ylhexanamide
CID 106251098
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
3-imidazol-1-yl-N-propyloctanamide
CID 67900552
(2S)-4-hydroxy-2-(3-imidazol-1-ylhexanoylamino)butanoic acid
CID 107821784
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
ethyl 4-(3-imidazol-1-ylhexanoylamino)butanoate
CID 60706879
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-imidazol-1-ylhexanamide
CID 106179981
N-[(2-hydroxycyclohexyl)methyl]-3-imidazol-1-ylhexanamide
CID 64929103
3-imidazol-1-yl-N-(2-methylpropoxy)hexanamide
CID 115410108
N-(1-hydroxy-4-methylpentan-3-yl)-3-imidazol-1-ylhexanamide
CID 106352921
N-[(3-hydroxyoxolan-3-yl)methyl]-3-imidazol-1-ylhexanamide
CID 106102842
2-(3-imidazol-1-ylhexanoylamino)thiophene-3-carboxylic acid
CID 43357509

Frequently Asked Questions

What is the IUPAC name of 2-(3-imidazol-1-ylhexanoylamino)acetic acid?
The IUPAC name of 2-(3-imidazol-1-ylhexanoylamino)acetic acid (CID 43354558) is 2-(3-imidazol-1-ylhexanoylamino)acetic acid.
What is the SMILES notation for 2-(3-imidazol-1-ylhexanoylamino)acetic acid?
The canonical SMILES for 2-(3-imidazol-1-ylhexanoylamino)acetic acid is CCCC(CC(=O)NCC(=O)O)n1ccnc1.
What is the InChIKey of 2-(3-imidazol-1-ylhexanoylamino)acetic acid?
The InChIKey is XLBJGNNCYUJSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-3-9(14-5-4-12-8-14)6-10(15)13-7-11(16)17/h4-5,8-9H,2-3,6-7H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 2-(3-imidazol-1-ylhexanoylamino)acetic acid?
2-(3-imidazol-1-ylhexanoylamino)acetic acid has a molecular weight of 239.27 g/mol, XLogP of 0.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-imidazol-1-ylhexanoylamino)acetic acid is sourced from PubChem (CID 43354558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).