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

C6H11N3O2 — CID 163861105

IUPACmethyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate
SMILESCOC(=O)C(N)C1CN=CN1
InChIInChI=1S/C6H11N3O2/c1-11-6(10)5(7)4-2-8-3-9-4/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeyPCPHGHFBSKLVQZ-UHFFFAOYSA-N
MW157.17 g/mol
LogP-1.51
Rot. Bonds2

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

methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate (PubChem CID 163861105) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate
PubChem CID163861105
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Namemethyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate
SMILESCOC(=O)C(N)C1CN=CN1
InChIInChI=1S/C6H11N3O2/c1-11-6(10)5(7)4-2-8-3-9-4/h3-5H,2,7H2,1H3,(H,8,9)
InChIKeyPCPHGHFBSKLVQZ-UHFFFAOYSA-N
XLogP-1.51
TPSA76.71 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 ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate?
The IUPAC name of methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate (CID 163861105) is methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate is COC(=O)C(N)C1CN=CN1.
What is the InChIKey of methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate?
The InChIKey is PCPHGHFBSKLVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-11-6(10)5(7)4-2-8-3-9-4/h3-5H,2,7H2,1H3,(H,8,9).
What are the key properties of methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate?
methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate has a molecular weight of 157.17 g/mol, XLogP of -1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(4,5-dihydro-1H-imidazol-5-yl)acetate is sourced from PubChem (CID 163861105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).