2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride

C6H10Cl2N2O2 — CID 67550386

IUPAC2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
SMILESCC(C(=O)O)c1cnc[nH]1.Cl.Cl
InChIInChI=1S/C6H8N2O2.2ClH/c1-4(6(9)10)5-2-7-3-8-5;;/h2-4H,1H3,(H,7,8)(H,9,10);2*1H
InChIKeyVMMNMDWIENBTLE-UHFFFAOYSA-N
MW213.06 g/mol
LogP1.44
Rot. Bonds2

About 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride

2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride (PubChem CID 67550386) has the molecular formula C6H10Cl2N2O2 and a molecular weight of 213.06 g/mol. Its IUPAC name is 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride.

Molecular Properties

Compound Name2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
PubChem CID67550386
Molecular FormulaC6H10Cl2N2O2
Molecular Weight213.06 g/mol
Exact Mass212.01
IUPAC Name2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
SMILESCC(C(=O)O)c1cnc[nH]1.Cl.Cl
InChIInChI=1S/C6H8N2O2.2ClH/c1-4(6(9)10)5-2-7-3-8-5;;/h2-4H,1H3,(H,7,8)(H,9,10);2*1H
InChIKeyVMMNMDWIENBTLE-UHFFFAOYSA-N
XLogP1.44
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.06
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid
CID 20699086
(2S)-2,5-diamino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 69387162
(2S)-3-(1H-imidazol-5-yl)-2-pyrrol-1-ylbutanoic acid
CID 118492450
2-phenylethyl 2-(1H-imidazol-5-yl)propanoate
CID 70010888
2-[2-(1H-imidazol-5-yl)phenyl]propanoic acid
CID 115029533
methyl 2-amino-2-(1H-imidazol-5-yl)acetate
CID 20624250
2-amino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 174776240
1-(1H-imidazol-5-yl)-2-methylbutan-1-ol;hydrochloride
CID 55254810
5-(3-oxobutan-2-yl)-1H-pyrimidin-6-one
CID 91358606
(2R)-2-(1H-imidazol-5-yl)propan-1-amine;dihydrochloride
CID 67125181
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CID 10447569

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride?
The IUPAC name of 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride (CID 67550386) is 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride.
What is the SMILES notation for 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride?
The canonical SMILES for 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride is CC(C(=O)O)c1cnc[nH]1.Cl.Cl.
What is the InChIKey of 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride?
The InChIKey is VMMNMDWIENBTLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.2ClH/c1-4(6(9)10)5-2-7-3-8-5;;/h2-4H,1H3,(H,7,8)(H,9,10);2*1H.
What are the key properties of 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride?
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride has a molecular weight of 213.06 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride is sourced from PubChem (CID 67550386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).