formonitrile;methyl 2-aminoacetate

C4H8N2O2 — CID 175285195

IUPACformonitrile;methyl 2-aminoacetate
SMILESC#N.COC(=O)CN
InChIInChI=1S/C3H7NO2.CHN/c1-6-3(5)2-4;1-2/h2,4H2,1H3;1H
InChIKeyOXQWNMAYLLVUKM-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.74
Rot. Bonds1

About formonitrile;methyl 2-aminoacetate

formonitrile;methyl 2-aminoacetate (PubChem CID 175285195) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is formonitrile;methyl 2-aminoacetate.

Molecular Properties

Compound Nameformonitrile;methyl 2-aminoacetate
PubChem CID175285195
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Nameformonitrile;methyl 2-aminoacetate
SMILESC#N.COC(=O)CN
InChIInChI=1S/C3H7NO2.CHN/c1-6-3(5)2-4;1-2/h2,4H2,1H3;1H
InChIKeyOXQWNMAYLLVUKM-UHFFFAOYSA-N
XLogP-0.74
TPSA76.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of formonitrile;methyl 2-aminoacetate?
The IUPAC name of formonitrile;methyl 2-aminoacetate (CID 175285195) is formonitrile;methyl 2-aminoacetate.
What is the SMILES notation for formonitrile;methyl 2-aminoacetate?
The canonical SMILES for formonitrile;methyl 2-aminoacetate is C#N.COC(=O)CN.
What is the InChIKey of formonitrile;methyl 2-aminoacetate?
The InChIKey is OXQWNMAYLLVUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO2.CHN/c1-6-3(5)2-4;1-2/h2,4H2,1H3;1H.
What are the key properties of formonitrile;methyl 2-aminoacetate?
formonitrile;methyl 2-aminoacetate has a molecular weight of 116.12 g/mol, XLogP of -0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formonitrile;methyl 2-aminoacetate is sourced from PubChem (CID 175285195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).