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

C9H17N3O — CID 153098059

IUPAC(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
SMILESCC(C)C(O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C9H17N3O/c1-6(2)9(13)8(10)3-7-4-11-5-12-7/h4-6,8-9,13H,3,10H2,1-2H3,(H,11,12)/t8-,9?/m0/s1
InChIKeyVQNBUQXSPXBXRT-IENPIDJESA-N
MW183.25 g/mol
LogP0.30
Rot. Bonds4

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

(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol (PubChem CID 153098059) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
PubChem CID153098059
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
SMILESCC(C)C(O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C9H17N3O/c1-6(2)9(13)8(10)3-7-4-11-5-12-7/h4-6,8-9,13H,3,10H2,1-2H3,(H,11,12)/t8-,9?/m0/s1
InChIKeyVQNBUQXSPXBXRT-IENPIDJESA-N
XLogP0.30
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol with MolForge

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

Launch Full Analysis

Related Compounds

3-amino-4-(1H-imidazol-5-yl)butan-2-ol
CID 123261764
(2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol
CID 163419195
(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
5-(2,3-dimethylbutyl)-1H-imidazole
CID 149460105
(2S)-1-(1H-imidazol-5-yl)-3-methylbut-3-en-2-amine
CID 126613398
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
2-amino-3-(1H-imidazol-5-yl)propanoic acid;2-amino-3-methylbutanoic acid;hydrochloride
CID 174386105
(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
CID 84752942
[(2S)-2-aminopropanoyl] (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate
CID 57177492

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol?
The IUPAC name of (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol (CID 153098059) is (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol.
What is the SMILES notation for (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol?
The canonical SMILES for (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol is CC(C)C(O)[C@@H](N)Cc1cnc[nH]1.
What is the InChIKey of (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol?
The InChIKey is VQNBUQXSPXBXRT-IENPIDJESA-N. The full InChI is InChI=1S/C9H17N3O/c1-6(2)9(13)8(10)3-7-4-11-5-12-7/h4-6,8-9,13H,3,10H2,1-2H3,(H,11,12)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol?
(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol has a molecular weight of 183.25 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol is sourced from PubChem (CID 153098059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).