methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride

C8H14ClN3O2 — CID 135391286

IUPACmethyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride
SMILESCOC(=O)CCc1cn(C)c(N)n1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-11-5-6(10-8(11)9)3-4-7(12)13-2;/h5H,3-4H2,1-2H3,(H2,9,10);1H
InChIKeyOUAGEBSVZFHAAR-UHFFFAOYSA-N
MW219.67 g/mol
LogP0.53
Rot. Bonds3

About methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride

methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride (PubChem CID 135391286) has the molecular formula C8H14ClN3O2 and a molecular weight of 219.67 g/mol. Its IUPAC name is methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride
PubChem CID135391286
Molecular FormulaC8H14ClN3O2
Molecular Weight219.67 g/mol
Exact Mass219.08
IUPAC Namemethyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride
SMILESCOC(=O)CCc1cn(C)c(N)n1.Cl
InChIInChI=1S/C8H13N3O2.ClH/c1-11-5-6(10-8(11)9)3-4-7(12)13-2;/h5H,3-4H2,1-2H3,(H2,9,10);1H
InChIKeyOUAGEBSVZFHAAR-UHFFFAOYSA-N
XLogP0.53
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride?
The IUPAC name of methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride (CID 135391286) is methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride?
The canonical SMILES for methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride is COC(=O)CCc1cn(C)c(N)n1.Cl.
What is the InChIKey of methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride?
The InChIKey is OUAGEBSVZFHAAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.ClH/c1-11-5-6(10-8(11)9)3-4-7(12)13-2;/h5H,3-4H2,1-2H3,(H2,9,10);1H.
What are the key properties of methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride?
methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride has a molecular weight of 219.67 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-amino-1-methylimidazol-4-yl)propanoate;hydrochloride is sourced from PubChem (CID 135391286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).