methyl 2-(1H-imidazol-5-ylamino)acetate

C6H9N3O2 — CID 45120743

IUPACmethyl 2-(1H-imidazol-5-ylamino)acetate
SMILESCOC(=O)CNc1cnc[nH]1
InChIInChI=1S/C6H9N3O2/c1-11-6(10)3-8-5-2-7-4-9-5/h2,4,8H,3H2,1H3,(H,7,9)
InChIKeyWTBBZIJFBNXRQQ-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.01
Rot. Bonds3

About methyl 2-(1H-imidazol-5-ylamino)acetate

methyl 2-(1H-imidazol-5-ylamino)acetate (PubChem CID 45120743) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is methyl 2-(1H-imidazol-5-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(1H-imidazol-5-ylamino)acetate
PubChem CID45120743
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Namemethyl 2-(1H-imidazol-5-ylamino)acetate
SMILESCOC(=O)CNc1cnc[nH]1
InChIInChI=1S/C6H9N3O2/c1-11-6(10)3-8-5-2-7-4-9-5/h2,4,8H,3H2,1H3,(H,7,9)
InChIKeyWTBBZIJFBNXRQQ-UHFFFAOYSA-N
XLogP-0.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-(1H-imidazol-5-ylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,2-dimethylpropyl)-1H-imidazol-5-amine
CID 130635294
N-(1H-imidazol-5-yl)-2,2-dimethylbutanamide
CID 126999527
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136973720
methyl 6-(1H-imidazol-5-yl)hexanoate
CID 151564733
N-(1H-imidazol-5-yl)pentanamide
CID 130719648
N-(cyclopentylmethyl)-1H-imidazol-5-amine
CID 131176370
N-[(1-methylcyclopropyl)methyl]-1H-imidazol-5-amine
CID 130621456
methyl 1H-imidazole-5-carboxylate;hydrochloride
CID 45116490
methyl 4-(1H-imidazol-5-ylmethylamino)butanoate
CID 62763202
methyl 4-[1H-imidazole-5-carbonyl(methyl)amino]butanoate
CID 62659533
methyl 2-[(3-chloro-1,2,4-triazin-5-yl)amino]acetate
CID 114999415
methyl 2-[(5-aminopyrimidin-4-yl)amino]acetate
CID 79908313

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-imidazol-5-ylamino)acetate?
The IUPAC name of methyl 2-(1H-imidazol-5-ylamino)acetate (CID 45120743) is methyl 2-(1H-imidazol-5-ylamino)acetate.
What is the SMILES notation for methyl 2-(1H-imidazol-5-ylamino)acetate?
The canonical SMILES for methyl 2-(1H-imidazol-5-ylamino)acetate is COC(=O)CNc1cnc[nH]1.
What is the InChIKey of methyl 2-(1H-imidazol-5-ylamino)acetate?
The InChIKey is WTBBZIJFBNXRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-11-6(10)3-8-5-2-7-4-9-5/h2,4,8H,3H2,1H3,(H,7,9).
What are the key properties of methyl 2-(1H-imidazol-5-ylamino)acetate?
methyl 2-(1H-imidazol-5-ylamino)acetate has a molecular weight of 155.16 g/mol, XLogP of -0.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-imidazol-5-ylamino)acetate is sourced from PubChem (CID 45120743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).