3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride

C6H11ClN2O2S — CID 54609807

IUPAC3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCSC1=NCCN1
InChIInChI=1S/C6H10N2O2S.ClH/c9-5(10)1-4-11-6-7-2-3-8-6;/h1-4H2,(H,7,8)(H,9,10);1H
InChIKeyPVMYWLRMWNDTSM-UHFFFAOYSA-N
MW210.69 g/mol
LogP0.58
Rot. Bonds3

About 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride (PubChem CID 54609807) has the molecular formula C6H11ClN2O2S and a molecular weight of 210.69 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride
PubChem CID54609807
Molecular FormulaC6H11ClN2O2S
Molecular Weight210.69 g/mol
Exact Mass210.02
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride
SMILESCl.O=C(O)CCSC1=NCCN1
InChIInChI=1S/C6H10N2O2S.ClH/c9-5(10)1-4-11-6-7-2-3-8-6;/h1-4H2,(H,7,8)(H,9,10);1H
InChIKeyPVMYWLRMWNDTSM-UHFFFAOYSA-N
XLogP0.58
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.69
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4,5-dihydro-1H-imidazol-2-ylsulfanyl)acetic acid
CID 314325
2-((4,5-Dihydro-1H-imidazol-2-yl)thio)acetic acid hydrochloride
CID 54605425
3-(4,5-Dihydro-1,3-thiazol-2-ylamino)propanoic acid
CID 10702379
3-(N,N'-dimethylcarbamimidoyl)sulfanylpropanoic acid;hydrochloride
CID 45264062
3-(4,5-dihydro-1H-imidazol-2-ylthio)propanoic acid
CID 413701
2-[(4,5-Dihydroimidazol-3-ium-2-yl)thio]butyrate
CID 129799218
2-[(4,5-Dihydro-2-imidazolyl)thio]butyric acid hydrochloride
CID 129799267
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride
CID 24190477
3-[(5-Methyl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanoic acid
CID 68210523
2-(Propan-2-ylamino)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
CID 89855725
3-[[4-(2-Aminoethylamino)-1,4-dihydro-1,3,5-triazin-2-yl]sulfanyl]propanoic acid
CID 129046496
2-amino-3-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)sulfanyl]propanoic acid
CID 156449168

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride (CID 54609807) is 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride is Cl.O=C(O)CCSC1=NCCN1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride?
The InChIKey is PVMYWLRMWNDTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S.ClH/c9-5(10)1-4-11-6-7-2-3-8-6;/h1-4H2,(H,7,8)(H,9,10);1H.
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride?
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride has a molecular weight of 210.69 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propanoic acid;hydrochloride is sourced from PubChem (CID 54609807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).