methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride

C7H12ClN3O2 — CID 12658395

IUPACmethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1cnc[nH]1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;/h3-4,6H,2,8H2,1H3,(H,9,10);1H/t6-;/m1./s1
InChIKeyVEEIFXWJNCAVEQ-FYZOBXCZSA-N
MW205.65 g/mol
LogP-0.13
Rot. Bonds3

About methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride

methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride (PubChem CID 12658395) has the molecular formula C7H12ClN3O2 and a molecular weight of 205.65 g/mol. Its IUPAC name is methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
PubChem CID12658395
Molecular FormulaC7H12ClN3O2
Molecular Weight205.65 g/mol
Exact Mass205.06
IUPAC Namemethyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride
SMILESCOC(=O)[C@H](N)Cc1cnc[nH]1.Cl
InChIInChI=1S/C7H11N3O2.ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;/h3-4,6H,2,8H2,1H3,(H,9,10);1H/t6-;/m1./s1
InChIKeyVEEIFXWJNCAVEQ-FYZOBXCZSA-N
XLogP-0.13
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.65
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride?
The IUPAC name of methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride (CID 12658395) is methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride.
What is the SMILES notation for methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride?
The canonical SMILES for methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride is COC(=O)[C@H](N)Cc1cnc[nH]1.Cl.
What is the InChIKey of methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride?
The InChIKey is VEEIFXWJNCAVEQ-FYZOBXCZSA-N. The full InChI is InChI=1S/C7H11N3O2.ClH/c1-12-7(11)6(8)2-5-3-9-4-10-5;/h3-4,6H,2,8H2,1H3,(H,9,10);1H/t6-;/m1./s1.
What are the key properties of methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride?
methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride has a molecular weight of 205.65 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-3-(1H-imidazol-5-yl)propanoate;hydrochloride is sourced from PubChem (CID 12658395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).