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

C7H12ClN3O2 — CID 168922751

IUPAC2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride
SMILESCc1ncc(CC(N)C(=O)O)[nH]1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-4-9-3-5(10-4)2-6(8)7(11)12;/h3,6H,2,8H2,1H3,(H,9,10)(H,11,12);1H
InChIKeyBWCQEUXZRXAGJF-UHFFFAOYSA-N
MW205.65 g/mol
LogP0.09
Rot. Bonds3

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

2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride (PubChem CID 168922751) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is 2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride
PubChem CID168922751
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Name2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride
SMILESCc1ncc(CC(N)C(=O)O)[nH]1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-4-9-3-5(10-4)2-6(8)7(11)12;/h3,6H,2,8H2,1H3,(H,9,10)(H,11,12);1H
InChIKeyBWCQEUXZRXAGJF-UHFFFAOYSA-N
XLogP0.09
TPSA92.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 137098625
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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride?
The IUPAC name of 2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride (CID 168922751) is 2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride.
What is the SMILES notation for 2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride?
The canonical SMILES for 2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride is Cc1ncc(CC(N)C(=O)O)[nH]1.Cl.
What is the InChIKey of 2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride?
The InChIKey is BWCQEUXZRXAGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-4-9-3-5(10-4)2-6(8)7(11)12;/h3,6H,2,8H2,1H3,(H,9,10)(H,11,12);1H.
What are the key properties of 2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride?
2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of 0.09, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-methyl-1H-imidazol-5-yl)propanoic acid;hydrochloride is sourced from PubChem (CID 168922751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).