Histidine Monohydrochloride

C6H10ClN3O2 — CID 66091

IUPAC(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride
SMILESC1=C(NC=N1)C[C@@H](C(=O)O)N.Cl
InChIInChI=1S/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H/t5-;/m0./s1
InChIKeyQZNNVYOVQUKYSC-JEDNCBNOSA-N
MW191.61 g/mol
LogP—
Rot. Bonds3

About Histidine Monohydrochloride

Histidine Monohydrochloride (PubChem CID 66091) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.61 g/mol. Its IUPAC name is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound NameHistidine Monohydrochloride
PubChem CID66091
Molecular FormulaC6H10ClN3O2
Molecular Weight191.61 g/mol
Exact Mass191.05
IUPAC Name(2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride
SMILESC1=C(NC=N1)C[C@@H](C(=O)O)N.Cl
InChIInChI=1S/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H/t5-;/m0./s1
InChIKeyQZNNVYOVQUKYSC-JEDNCBNOSA-N
XLogP—
TPSA92.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity151

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

L-Histidine
CID 6274
Carnosine
CID 439224
L-Histidinol
CID 165271
3-Methyl-L-Histidine
CID 64969
1H-Imidazole-5-propanoic acid
CID 70630
1-Methyl-L-histidine
CID 92105
Anserine
CID 112072
(2S)-2-ammonio-3-(1H-imidazol-4-yl)propanoate
CID 6971009
D-Histidine
CID 71083
DL-histidine
CID 773
(alphaS)-alpha-Amino-1H-imidazole-5-propanal
CID 152657
Polaprezinc
CID 9817450

Frequently Asked Questions

What is the IUPAC name of Histidine Monohydrochloride?
The IUPAC name of Histidine Monohydrochloride (CID 66091) is (2S)-2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride.
What is the SMILES notation for Histidine Monohydrochloride?
The canonical SMILES for Histidine Monohydrochloride is C1=C(NC=N1)C[C@@H](C(=O)O)N.Cl.
What is the InChIKey of Histidine Monohydrochloride?
The InChIKey is QZNNVYOVQUKYSC-JEDNCBNOSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c7-5(6(10)11)1-4-2-8-3-9-4;/h2-3,5H,1,7H2,(H,8,9)(H,10,11);1H/t5-;/m0./s1.
What are the key properties of Histidine Monohydrochloride?
Histidine Monohydrochloride has a molecular weight of 191.61 g/mol, XLogP of not available, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Histidine Monohydrochloride is sourced from PubChem (CID 66091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).