methyl (2R)-2-imidazol-1-yl-4-methylpentanoate

C10H16N2O2 — CID 122164028

IUPACmethyl (2R)-2-imidazol-1-yl-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)n1ccnc1
InChIInChI=1S/C10H16N2O2/c1-8(2)6-9(10(13)14-3)12-5-4-11-7-12/h4-5,7-9H,6H2,1-3H3/t9-/m1/s1
InChIKeyZBAXVWGOMYPZGG-SECBINFHSA-N
MW196.25 g/mol
LogP1.64
Rot. Bonds4

About methyl (2R)-2-imidazol-1-yl-4-methylpentanoate

methyl (2R)-2-imidazol-1-yl-4-methylpentanoate (PubChem CID 122164028) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is methyl (2R)-2-imidazol-1-yl-4-methylpentanoate.

Molecular Properties

Compound Namemethyl (2R)-2-imidazol-1-yl-4-methylpentanoate
PubChem CID122164028
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namemethyl (2R)-2-imidazol-1-yl-4-methylpentanoate
SMILESCOC(=O)[C@@H](CC(C)C)n1ccnc1
InChIInChI=1S/C10H16N2O2/c1-8(2)6-9(10(13)14-3)12-5-4-11-7-12/h4-5,7-9H,6H2,1-3H3/t9-/m1/s1
InChIKeyZBAXVWGOMYPZGG-SECBINFHSA-N
XLogP1.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-imidazol-1-yl-4-methylpentanoate?
The IUPAC name of methyl (2R)-2-imidazol-1-yl-4-methylpentanoate (CID 122164028) is methyl (2R)-2-imidazol-1-yl-4-methylpentanoate.
What is the SMILES notation for methyl (2R)-2-imidazol-1-yl-4-methylpentanoate?
The canonical SMILES for methyl (2R)-2-imidazol-1-yl-4-methylpentanoate is COC(=O)[C@@H](CC(C)C)n1ccnc1.
What is the InChIKey of methyl (2R)-2-imidazol-1-yl-4-methylpentanoate?
The InChIKey is ZBAXVWGOMYPZGG-SECBINFHSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8(2)6-9(10(13)14-3)12-5-4-11-7-12/h4-5,7-9H,6H2,1-3H3/t9-/m1/s1.
What are the key properties of methyl (2R)-2-imidazol-1-yl-4-methylpentanoate?
methyl (2R)-2-imidazol-1-yl-4-methylpentanoate has a molecular weight of 196.25 g/mol, XLogP of 1.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-imidazol-1-yl-4-methylpentanoate is sourced from PubChem (CID 122164028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).