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

C6H9N3O2 — CID 20624250

IUPACmethyl 2-amino-2-(1H-imidazol-5-yl)acetate
SMILESCOC(=O)C(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)
InChIKeyOGMOTDKKHYWKNN-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.42
Rot. Bonds2

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

methyl 2-amino-2-(1H-imidazol-5-yl)acetate (PubChem CID 20624250) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 2-amino-2-(1H-imidazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(1H-imidazol-5-yl)acetate
PubChem CID20624250
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 2-amino-2-(1H-imidazol-5-yl)acetate
SMILESCOC(=O)C(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)
InChIKeyOGMOTDKKHYWKNN-UHFFFAOYSA-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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Related Compounds

methyl 2-(1H-imidazol-5-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 149222122
(1S)-1-(1H-imidazol-5-yl)propan-1-amine
CID 68653540
carbon dioxide;1-(1H-imidazol-5-yl)ethanamine
CID 176541381
2-(1H-imidazol-5-yl)-2-(methylamino)acetic acid
CID 20699086
[3-(1H-imidazol-5-yl)-1-methoxy-1-oxopropan-2-yl]carbamic acid
CID 19939260
(2S,3R)-3-(1H-imidazol-5-yl)butan-2-amine
CID 10447569
2-(1H-imidazol-5-yl)propanoic acid;dihydrochloride
CID 67550386
methyl 2-amino-2-(5-methyl-1H-imidazol-4-yl)acetate
CID 131497707
(2S)-2,5-diamino-3-(1H-imidazol-5-yl)-4-oxohexanoic acid
CID 69387162
methyl (2S)-2-(1H-imidazol-5-ylmethylamino)propanoate
CID 62763548
methyl (2S)-3-(1H-imidazol-5-yl)-2-(methylamino)propanoate
CID 7020801
(2S,3S)-3-(1H-imidazol-5-yl)butan-2-amine;dihydrobromide
CID 45262234

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1H-imidazol-5-yl)acetate?
The IUPAC name of methyl 2-amino-2-(1H-imidazol-5-yl)acetate (CID 20624250) is methyl 2-amino-2-(1H-imidazol-5-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(1H-imidazol-5-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(1H-imidazol-5-yl)acetate is COC(=O)C(N)c1cnc[nH]1.
What is the InChIKey of methyl 2-amino-2-(1H-imidazol-5-yl)acetate?
The InChIKey is OGMOTDKKHYWKNN-UHFFFAOYSA-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).
What are the key properties of methyl 2-amino-2-(1H-imidazol-5-yl)acetate?
methyl 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 2-amino-2-(1H-imidazol-5-yl)acetate is sourced from PubChem (CID 20624250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).