L-Histidinol

C6H11N3O — CID 165271

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
SMILESC1=C(NC=N1)C[C@@H](CO)N
InChIInChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
InChIKeyZQISRDCJNBUVMM-YFKPBYRVSA-N
MW141.17 g/mol
LogP-1.20
Rot. Bonds3

About L-Histidinol

L-Histidinol (PubChem CID 165271) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol.

Molecular Properties

Compound NameL-Histidinol
PubChem CID165271
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol
SMILESC1=C(NC=N1)C[C@@H](CO)N
InChIInChI=1S/C6H11N3O/c7-5(3-10)1-6-2-8-4-9-6/h2,4-5,10H,1,3,7H2,(H,8,9)/t5-/m0/s1
InChIKeyZQISRDCJNBUVMM-YFKPBYRVSA-N
XLogP-1.20
TPSA74.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity99

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

L-Histidine
CID 6274
1H-Imidazole-5-propanoic acid
CID 70630
(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoate
CID 6971009
D-Histidine
CID 71083
Histidine Monohydrochloride
CID 66091
DL-histidine
CID 773
alpha-Methyl-1H-imidazole-5-ethanamine
CID 3615
L-Histidinol phosphate
CID 439398
alpha-methylhistamine, (R)-
CID 156615
Histidinol
CID 776
Fub 465
CID 9989449
Histidine Monohydrochloride Monohydrate
CID 165377

Frequently Asked Questions

What is the IUPAC name of L-Histidinol?
The IUPAC name of L-Histidinol (CID 165271) is (2S)-2-amino-3-(1H-imidazol-5-yl)propan-1-ol.
What is the SMILES notation for L-Histidinol?
The canonical SMILES for L-Histidinol is C1=C(NC=N1)C[C@@H](CO)N.
What is the InChIKey of L-Histidinol?
The InChIKey is ZQISRDCJNBUVMM-YFKPBYRVSA-N. 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)/t5-/m0/s1.
What are the key properties of L-Histidinol?
L-Histidinol has a molecular weight of 141.17 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for L-Histidinol is sourced from PubChem (CID 165271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).