methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate

C6H9N3O2 — CID 45082118

IUPACmethyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate
SMILESCOC(=O)[C@H](N)c1cnc[nH]1
InChIInChI=1S/C6H9N3O2/c1-11-6(10)5(7)4-2-8-3-9-4/h2-3,5H,7H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyOGMOTDKKHYWKNN-RXMQYKEDSA-N
MW155.16 g/mol
LogP-0.42
Rot. Bonds2

About methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate

methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate (PubChem CID 45082118) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate
PubChem CID45082118
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate
SMILESCOC(=O)[C@H](N)c1cnc[nH]1
InChIInChI=1S/C6H9N3O2/c1-11-6(10)5(7)4-2-8-3-9-4/h2-3,5H,7H2,1H3,(H,8,9)/t5-/m1/s1
InChIKeyOGMOTDKKHYWKNN-RXMQYKEDSA-N
XLogP-0.42
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.42
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-2-(1H-imidazol-5-yl)acetate?
The IUPAC name of methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate (CID 45082118) is methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate.
What is the SMILES notation for methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate?
The canonical SMILES for methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate is COC(=O)[C@H](N)c1cnc[nH]1.
What is the InChIKey of methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate?
The InChIKey is OGMOTDKKHYWKNN-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-6(10)5(7)4-2-8-3-9-4/h2-3,5H,7H2,1H3,(H,8,9)/t5-/m1/s1.
What are the key properties of methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate?
methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate has a molecular weight of 155.16 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-amino-2-(1H-imidazol-5-yl)acetate is sourced from PubChem (CID 45082118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).