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

C9H17N3O — CID 163419195

IUPAC(2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol
SMILESCCCC(O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C9H17N3O/c1-2-3-9(13)8(10)4-7-5-11-6-12-7/h5-6,8-9,13H,2-4,10H2,1H3,(H,11,12)/t8-,9?/m0/s1
InChIKeyAGZFXIAMYJFLPO-IENPIDJESA-N
MW183.25 g/mol
LogP0.44
Rot. Bonds5

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

(2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol (PubChem CID 163419195) 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)hexan-3-ol.

Molecular Properties

Compound Name(2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol
PubChem CID163419195
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name(2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol
SMILESCCCC(O)[C@@H](N)Cc1cnc[nH]1
InChIInChI=1S/C9H17N3O/c1-2-3-9(13)8(10)4-7-5-11-6-12-7/h5-6,8-9,13H,2-4,10H2,1H3,(H,11,12)/t8-,9?/m0/s1
InChIKeyAGZFXIAMYJFLPO-IENPIDJESA-N
XLogP0.44
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 123261764
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(2S)-2-amino-1-(1H-imidazol-5-yl)-4-methylpentan-3-ol
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(2S)-2-amino-1-(1H-imidazol-5-yl)-4-propylheptan-3-one
CID 135230876
ethyl (2S)-2-amino-3-(1H-imidazol-5-yl)propanoate;dihydrochloride
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(2R)-1-(1H-imidazol-5-yl)propan-2-amine chloride
CID 53313193
(2S)-1-(1H-imidazol-5-yl)-3-methylbut-3-en-2-amine
CID 126613398
[(2S)-1-ethoxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]azanium
CID 7015307
2-amino-1-(1H-imidazol-5-yl)pentan-3-one;ethane
CID 168886358
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-(3-aminohexanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
CID 104894534

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol?
The IUPAC name of (2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol (CID 163419195) is (2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol.
What is the SMILES notation for (2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol?
The canonical SMILES for (2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol is CCCC(O)[C@@H](N)Cc1cnc[nH]1.
What is the InChIKey of (2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol?
The InChIKey is AGZFXIAMYJFLPO-IENPIDJESA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-3-9(13)8(10)4-7-5-11-6-12-7/h5-6,8-9,13H,2-4,10H2,1H3,(H,11,12)/t8-,9?/m0/s1.
What are the key properties of (2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol?
(2S)-2-amino-1-(1H-imidazol-5-yl)hexan-3-ol has a molecular weight of 183.25 g/mol, XLogP of 0.44, 5 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)hexan-3-ol is sourced from PubChem (CID 163419195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).