2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride

C6H10ClN3O2 — CID 14259267

IUPAC2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1cnc[nH]1)C(=O)O
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
InChIKeyQZNNVYOVQUKYSC-UHFFFAOYSA-N
MW191.62 g/mol
LogP-0.21
Rot. Bonds3

About 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride

2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride (PubChem CID 14259267) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride
PubChem CID14259267
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride
SMILESCl.NC(Cc1cnc[nH]1)C(=O)O
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
InChIKeyQZNNVYOVQUKYSC-UHFFFAOYSA-N
XLogP-0.21
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride (CID 14259267) is 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride is Cl.NC(Cc1cnc[nH]1)C(=O)O.
What is the InChIKey of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride?
The InChIKey is QZNNVYOVQUKYSC-UHFFFAOYSA-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.
What are the key properties of 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride?
2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -0.21, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1H-imidazol-5-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 14259267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).