methyl 2-(2H-pyrimidine-1-carbonylamino)acetate

C8H11N3O3 — CID 70376493

IUPACmethyl 2-(2H-pyrimidine-1-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)N1C=CC=NC1
InChIInChI=1S/C8H11N3O3/c1-14-7(12)5-10-8(13)11-4-2-3-9-6-11/h2-4H,5-6H2,1H3,(H,10,13)
InChIKeyKHSGHDQDGWVEKT-UHFFFAOYSA-N
MW197.19 g/mol
LogP-0.27
Rot. Bonds2

About methyl 2-(2H-pyrimidine-1-carbonylamino)acetate

methyl 2-(2H-pyrimidine-1-carbonylamino)acetate (PubChem CID 70376493) has the molecular formula C8H11N3O3 and a molecular weight of 197.19 g/mol. Its IUPAC name is methyl 2-(2H-pyrimidine-1-carbonylamino)acetate.

Molecular Properties

Compound Namemethyl 2-(2H-pyrimidine-1-carbonylamino)acetate
PubChem CID70376493
Molecular FormulaC8H11N3O3
Molecular Weight197.19 g/mol
Exact Mass197.08
IUPAC Namemethyl 2-(2H-pyrimidine-1-carbonylamino)acetate
SMILESCOC(=O)CNC(=O)N1C=CC=NC1
InChIInChI=1S/C8H11N3O3/c1-14-7(12)5-10-8(13)11-4-2-3-9-6-11/h2-4H,5-6H2,1H3,(H,10,13)
InChIKeyKHSGHDQDGWVEKT-UHFFFAOYSA-N
XLogP-0.27
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.19
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2H-pyrimidine-1-carbonylamino)acetate?
The IUPAC name of methyl 2-(2H-pyrimidine-1-carbonylamino)acetate (CID 70376493) is methyl 2-(2H-pyrimidine-1-carbonylamino)acetate.
What is the SMILES notation for methyl 2-(2H-pyrimidine-1-carbonylamino)acetate?
The canonical SMILES for methyl 2-(2H-pyrimidine-1-carbonylamino)acetate is COC(=O)CNC(=O)N1C=CC=NC1.
What is the InChIKey of methyl 2-(2H-pyrimidine-1-carbonylamino)acetate?
The InChIKey is KHSGHDQDGWVEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O3/c1-14-7(12)5-10-8(13)11-4-2-3-9-6-11/h2-4H,5-6H2,1H3,(H,10,13).
What are the key properties of methyl 2-(2H-pyrimidine-1-carbonylamino)acetate?
methyl 2-(2H-pyrimidine-1-carbonylamino)acetate has a molecular weight of 197.19 g/mol, XLogP of -0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2H-pyrimidine-1-carbonylamino)acetate is sourced from PubChem (CID 70376493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).