(3R)-3-imidazol-1-ylbutanoic acid

C7H10N2O2 — CID 683521

IUPAC(3R)-3-imidazol-1-ylbutanoic acid
SMILESC[C@H](CC(=O)O)n1ccnc1
InChIInChI=1S/C7H10N2O2/c1-6(4-7(10)11)9-3-2-8-5-9/h2-3,5-6H,4H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyHLJDXGSNNOEKJD-ZCFIWIBFSA-N
MW154.17 g/mol
LogP0.92
Rot. Bonds3

About (3R)-3-imidazol-1-ylbutanoic acid

(3R)-3-imidazol-1-ylbutanoic acid (PubChem CID 683521) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is (3R)-3-imidazol-1-ylbutanoic acid.

Molecular Properties

Compound Name(3R)-3-imidazol-1-ylbutanoic acid
PubChem CID683521
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name(3R)-3-imidazol-1-ylbutanoic acid
SMILESC[C@H](CC(=O)O)n1ccnc1
InChIInChI=1S/C7H10N2O2/c1-6(4-7(10)11)9-3-2-8-5-9/h2-3,5-6H,4H2,1H3,(H,10,11)/t6-/m1/s1
InChIKeyHLJDXGSNNOEKJD-ZCFIWIBFSA-N
XLogP0.92
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-butan-2-ylimidazole;3-methylsulfanylpropanoic acid
CID 174844768
2-[(2S)-2-imidazol-1-ylpropoxy]acetic acid;hydrochloride
CID 18651594
carbonic acid;1-propan-2-ylimidazole
CID 175084414
1-butan-2-ylimidazole;methyl hydrogen carbonate
CID 174740697
2-imidazol-1-ylpropanoic acid
CID 16788764
carbonic acid;1-nonan-2-ylimidazole
CID 175092771
3-imidazol-1-ylbutanimidamide
CID 60914699
4,4,4-trifluoro-3-imidazol-1-ylbutanoic acid;hydrochloride
CID 122156813
5-imidazol-1-yl-5-(propanoylamino)pentanoic acid
CID 57228406
1-(4,4-dimethylpentan-2-yl)imidazole
CID 118984043
1-imidazol-1-ylethanol
CID 18366448
N-(2,4-difluorophenyl)-3-imidazol-1-ylbutanamide
CID 46340029

Frequently Asked Questions

What is the IUPAC name of (3R)-3-imidazol-1-ylbutanoic acid?
The IUPAC name of (3R)-3-imidazol-1-ylbutanoic acid (CID 683521) is (3R)-3-imidazol-1-ylbutanoic acid.
What is the SMILES notation for (3R)-3-imidazol-1-ylbutanoic acid?
The canonical SMILES for (3R)-3-imidazol-1-ylbutanoic acid is C[C@H](CC(=O)O)n1ccnc1.
What is the InChIKey of (3R)-3-imidazol-1-ylbutanoic acid?
The InChIKey is HLJDXGSNNOEKJD-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-6(4-7(10)11)9-3-2-8-5-9/h2-3,5-6H,4H2,1H3,(H,10,11)/t6-/m1/s1.
What are the key properties of (3R)-3-imidazol-1-ylbutanoic acid?
(3R)-3-imidazol-1-ylbutanoic acid has a molecular weight of 154.17 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-imidazol-1-ylbutanoic acid is sourced from PubChem (CID 683521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).