3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid

C14H23N3O3 — CID 82323769

IUPAC3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid
SMILESCC(C)(C)C(=O)N(CCCn1ccnc1)CCC(=O)O
InChIInChI=1S/C14H23N3O3/c1-14(2,3)13(20)17(9-5-12(18)19)8-4-7-16-10-6-15-11-16/h6,10-11H,4-5,7-9H2,1-3H3,(H,18,19)
InChIKeyZIRRJMAIJRUCHC-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.62
Rot. Bonds7

About 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid

3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid (PubChem CID 82323769) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid
PubChem CID82323769
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid
SMILESCC(C)(C)C(=O)N(CCCn1ccnc1)CCC(=O)O
InChIInChI=1S/C14H23N3O3/c1-14(2,3)13(20)17(9-5-12(18)19)8-4-7-16-10-6-15-11-16/h6,10-11H,4-5,7-9H2,1-3H3,(H,18,19)
InChIKeyZIRRJMAIJRUCHC-UHFFFAOYSA-N
XLogP1.62
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-imidazol-1-yl)propanoic acid
CID 2794718
ethyl 3-(1H-imidazol-1-yl)propanoate
CID 11845203
3-(1H-imidazol-1-yl)butanoic acid
CID 3101198
3-(2-methyl-1H-imidazol-1-yl)propanoic acid
CID 654387
3-(2-isopropyl-1H-imidazol-1-yl)propanoic acid
CID 747640
1-(1H-Imidazol-1-yl)-2,2-dimethyl-1-propanone
CID 545333
3-[2-(propan-2-yl)-1H-imidazol-1-yl]propanoic acid hydrochloride
CID 9549448
1-Butyl-3-methylimidazolium Acetate
CID 15953398
(1-Methyl-1H-imidazol-2-yl)acetic acid
CID 23043581
N-[3-(1H-imidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 3494332
2-(1-methyl-1H-imidazol-2-yl)acetic acid hydrochloride
CID 23043580
2-(1-methyl-1H-imidazol-2-yl)propanoic acid
CID 44177199

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid?
The IUPAC name of 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid (CID 82323769) is 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid.
What is the SMILES notation for 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid?
The canonical SMILES for 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid is CC(C)(C)C(=O)N(CCCn1ccnc1)CCC(=O)O.
What is the InChIKey of 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid?
The InChIKey is ZIRRJMAIJRUCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2,3)13(20)17(9-5-12(18)19)8-4-7-16-10-6-15-11-16/h6,10-11H,4-5,7-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid?
3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid has a molecular weight of 281.36 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-dimethylpropanoyl(3-imidazol-1-ylpropyl)amino]propanoic acid is sourced from PubChem (CID 82323769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).