3-amino-4-(1H-imidazol-5-yl)butan-2-ol

C7H13N3O — CID 123261764

IUPAC3-amino-4-(1H-imidazol-5-yl)butan-2-ol
SMILESCC(O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C7H13N3O/c1-5(11)7(8)2-6-3-9-4-10-6/h3-5,7,11H,2,8H2,1H3,(H,9,10)
InChIKeyZBQFFAQGWFSLST-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.34
Rot. Bonds3

About 3-amino-4-(1H-imidazol-5-yl)butan-2-ol

3-amino-4-(1H-imidazol-5-yl)butan-2-ol (PubChem CID 123261764) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 3-amino-4-(1H-imidazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-amino-4-(1H-imidazol-5-yl)butan-2-ol
PubChem CID123261764
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name3-amino-4-(1H-imidazol-5-yl)butan-2-ol
SMILESCC(O)C(N)Cc1cnc[nH]1
InChIInChI=1S/C7H13N3O/c1-5(11)7(8)2-6-3-9-4-10-6/h3-5,7,11H,2,8H2,1H3,(H,9,10)
InChIKeyZBQFFAQGWFSLST-UHFFFAOYSA-N
XLogP-0.34
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
CID 153098059
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CID 163419195
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
(1S)-1-amino-1-[3-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 134344750
(2S)-1-(1H-imidazol-5-yl)-3-methylbut-3-en-2-amine
CID 126613398
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
3-amino-4-(1H-imidazol-5-yl)butan-2-one;dihydrochloride
CID 45260587
3-amino-4-(1H-imidazol-5-yl)butan-2-one;ethane
CID 177242295
(2R)-2-amino-3-(1H-imidazol-5-yl)propanamide
CID 22877832
(2S)-2-amino-3-((2,4-13C2)1H-imidazol-5-yl)(113C)propanoic acid
CID 102176482
1-(1H-imidazol-5-yl)pentan-2-amine
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[(2S)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57177492

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(1H-imidazol-5-yl)butan-2-ol?
The IUPAC name of 3-amino-4-(1H-imidazol-5-yl)butan-2-ol (CID 123261764) is 3-amino-4-(1H-imidazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-amino-4-(1H-imidazol-5-yl)butan-2-ol?
The canonical SMILES for 3-amino-4-(1H-imidazol-5-yl)butan-2-ol is CC(O)C(N)Cc1cnc[nH]1.
What is the InChIKey of 3-amino-4-(1H-imidazol-5-yl)butan-2-ol?
The InChIKey is ZBQFFAQGWFSLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(11)7(8)2-6-3-9-4-10-6/h3-5,7,11H,2,8H2,1H3,(H,9,10).
What are the key properties of 3-amino-4-(1H-imidazol-5-yl)butan-2-ol?
3-amino-4-(1H-imidazol-5-yl)butan-2-ol has a molecular weight of 155.20 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(1H-imidazol-5-yl)butan-2-ol is sourced from PubChem (CID 123261764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).