methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate

C6H11N3O2 — CID 112692989

IUPACmethyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate
SMILESCOC(=O)CNC1=NCCN1
InChIInChI=1S/C6H11N3O2/c1-11-5(10)4-9-6-7-2-3-8-6/h2-4H2,1H3,(H2,7,8,9)
InChIKeyUVXDKSIBVYNBDI-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.29
Rot. Bonds2

About methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate

methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate (PubChem CID 112692989) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate
PubChem CID112692989
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Namemethyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate
SMILESCOC(=O)CNC1=NCCN1
InChIInChI=1S/C6H11N3O2/c1-11-5(10)4-9-6-7-2-3-8-6/h2-4H2,1H3,(H2,7,8,9)
InChIKeyUVXDKSIBVYNBDI-UHFFFAOYSA-N
XLogP-1.29
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-1.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate?
The IUPAC name of methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate (CID 112692989) is methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate.
What is the SMILES notation for methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate?
The canonical SMILES for methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate is COC(=O)CNC1=NCCN1.
What is the InChIKey of methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate?
The InChIKey is UVXDKSIBVYNBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-11-5(10)4-9-6-7-2-3-8-6/h2-4H2,1H3,(H2,7,8,9).
What are the key properties of methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate?
methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate has a molecular weight of 157.17 g/mol, XLogP of -1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4,5-dihydro-1H-imidazol-2-ylamino)acetate is sourced from PubChem (CID 112692989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).