[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium

C6H12N3O+ — CID 6950298

IUPAC[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium
SMILES[NH3+][C@H](CO)Cc1cnc[nH]1
InChIInChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
InChIKeyZQISRDCJNBUVMM-YFKPBYRVSA-O
MW142.18 g/mol
LogP-1.45
Rot. Bonds3

About [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium

[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium (PubChem CID 6950298) has the molecular formula C6H12N3O+ and a molecular weight of 142.18 g/mol. Its IUPAC name is [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium.

Molecular Properties

Compound Name[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium
PubChem CID6950298
Molecular FormulaC6H12N3O+
Molecular Weight142.18 g/mol
Exact Mass142.10
IUPAC Name[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium
SMILES[NH3+][C@H](CO)Cc1cnc[nH]1
InChIInChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1
InChIKeyZQISRDCJNBUVMM-YFKPBYRVSA-O
XLogP-1.45
TPSA76.55 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium?
The IUPAC name of [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium (CID 6950298) is [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium.
What is the SMILES notation for [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium?
The canonical SMILES for [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium is [NH3+][C@H](CO)Cc1cnc[nH]1.
What is the InChIKey of [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium?
The InChIKey is ZQISRDCJNBUVMM-YFKPBYRVSA-O. The full InChI is InChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/p+1/t5-/m0/s1.
What are the key properties of [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium?
[(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium has a molecular weight of 142.18 g/mol, XLogP of -1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-hydroxy-3-(1H-imidazol-5-yl)propan-2-yl]azanium is sourced from PubChem (CID 6950298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).