5-imidazol-1-yl-5-(propanoylamino)pentanoic acid

C11H17N3O3 — CID 57228406

IUPAC5-imidazol-1-yl-5-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(CCCC(=O)O)n1ccnc1
InChIInChI=1S/C11H17N3O3/c1-2-10(15)13-9(4-3-5-11(16)17)14-7-6-12-8-14/h6-9H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyBGDKPRVXRWEFKZ-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.16
Rot. Bonds7

About 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid

5-imidazol-1-yl-5-(propanoylamino)pentanoic acid (PubChem CID 57228406) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid.

Molecular Properties

Compound Name5-imidazol-1-yl-5-(propanoylamino)pentanoic acid
PubChem CID57228406
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-imidazol-1-yl-5-(propanoylamino)pentanoic acid
SMILESCCC(=O)NC(CCCC(=O)O)n1ccnc1
InChIInChI=1S/C11H17N3O3/c1-2-10(15)13-9(4-3-5-11(16)17)14-7-6-12-8-14/h6-9H,2-5H2,1H3,(H,13,15)(H,16,17)
InChIKeyBGDKPRVXRWEFKZ-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-3-imidazol-1-ylbutanoic acid
CID 683521
10-imidazol-1-yloctadecanoic acid
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5-(3-pyrazol-1-ylpropanoylamino)hexanoic acid
CID 82854624
2-(3-imidazol-1-ylhexanoylamino)acetic acid
CID 43354558
(2S)-2-(3-imidazol-1-ylhexanoylamino)hexanoic acid
CID 107144043
(2R)-2-(3-imidazol-1-ylhexanoylamino)pentanoic acid
CID 107562893
4-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957773
carbonic acid;1-nonan-2-ylimidazole
CID 175092771
2-imidazol-1-yltridecanoic acid
CID 69479791
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
carbonic acid;1-propan-2-ylimidazole
CID 175084414
1-butan-2-ylimidazole;3-methylsulfanylpropanoic acid
CID 174844768

Frequently Asked Questions

What is the IUPAC name of 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid?
The IUPAC name of 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid (CID 57228406) is 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid.
What is the SMILES notation for 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid?
The canonical SMILES for 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid is CCC(=O)NC(CCCC(=O)O)n1ccnc1.
What is the InChIKey of 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid?
The InChIKey is BGDKPRVXRWEFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-2-10(15)13-9(4-3-5-11(16)17)14-7-6-12-8-14/h6-9H,2-5H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid?
5-imidazol-1-yl-5-(propanoylamino)pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-imidazol-1-yl-5-(propanoylamino)pentanoic acid is sourced from PubChem (CID 57228406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).