methyl 3-amino-1,2-dihydroimidazole-5-carboxylate

C5H9N3O2 — CID 155668932

IUPACmethyl 3-amino-1,2-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1=CN(N)CN1
InChIInChI=1S/C5H9N3O2/c1-10-5(9)4-2-8(6)3-7-4/h2,7H,3,6H2,1H3
InChIKeyJYMQKCHPDJJYPA-UHFFFAOYSA-N
MW143.15 g/mol
LogP-1.26
Rot. Bonds1

About methyl 3-amino-1,2-dihydroimidazole-5-carboxylate

methyl 3-amino-1,2-dihydroimidazole-5-carboxylate (PubChem CID 155668932) has the molecular formula C5H9N3O2 and a molecular weight of 143.15 g/mol. Its IUPAC name is methyl 3-amino-1,2-dihydroimidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1,2-dihydroimidazole-5-carboxylate
PubChem CID155668932
Molecular FormulaC5H9N3O2
Molecular Weight143.15 g/mol
Exact Mass143.07
IUPAC Namemethyl 3-amino-1,2-dihydroimidazole-5-carboxylate
SMILESCOC(=O)C1=CN(N)CN1
InChIInChI=1S/C5H9N3O2/c1-10-5(9)4-2-8(6)3-7-4/h2,7H,3,6H2,1H3
InChIKeyJYMQKCHPDJJYPA-UHFFFAOYSA-N
XLogP-1.26
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.15
LogP ≤ 5-1.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[1-(4-iodophenyl)ethyl]-1,2-dihydroimidazole-5-carboxylate
CID 69309920
methyl 2,5-dihydro-1,2-oxazole-3-carboxylate
CID 57291578
methyl 1,4-dihydropyrimidine-6-carboxylate
CID 141087185
methyl 3-amino-2H-thiadiazole-4-carboxylate
CID 141438362
methyl 4-(3-amino-2H-imidazol-1-yl)benzoate
CID 57150577
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 3-methyl-4H-pyrimidine-5-carboxylate;hydroiodide
CID 173297533
methyl 6-amino-5-oxo-6,7-dihydro-4H-1,4-thiazepine-3-carboxylate
CID 130019818
methyl 6,7-dihydrothieno[2,3-c]pyridine-5-carboxylate;hydrochloride
CID 21241740
dodecamethyl tridecacyclo[22.6.6.64,11.614,21.02,23.03,12.05,10.013,22.015,20.025,30.031,36.037,42.043,48]octatetraconta-2,5,7,9,12,15,17,19,22,25,27,29,31,33,35,37,39,41,43,45,47-henicosaene-7,8,17,18,27,28,33,34,39,40,45,46-dodecacarboxylate
CID 71659778
dimethyl 2,5-dihydro-1H-pyrrole-3,4-dicarboxylate
CID 129045730
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1,2-dihydroimidazole-5-carboxylate?
The IUPAC name of methyl 3-amino-1,2-dihydroimidazole-5-carboxylate (CID 155668932) is methyl 3-amino-1,2-dihydroimidazole-5-carboxylate.
What is the SMILES notation for methyl 3-amino-1,2-dihydroimidazole-5-carboxylate?
The canonical SMILES for methyl 3-amino-1,2-dihydroimidazole-5-carboxylate is COC(=O)C1=CN(N)CN1.
What is the InChIKey of methyl 3-amino-1,2-dihydroimidazole-5-carboxylate?
The InChIKey is JYMQKCHPDJJYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O2/c1-10-5(9)4-2-8(6)3-7-4/h2,7H,3,6H2,1H3.
What are the key properties of methyl 3-amino-1,2-dihydroimidazole-5-carboxylate?
methyl 3-amino-1,2-dihydroimidazole-5-carboxylate has a molecular weight of 143.15 g/mol, XLogP of -1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1,2-dihydroimidazole-5-carboxylate is sourced from PubChem (CID 155668932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).