2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid

C10H13N3O4 — CID 66288193

IUPAC2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCOC(=O)c1nc(C)cc(N(C)CC(=O)O)n1
InChIInChI=1S/C10H13N3O4/c1-6-4-7(13(2)5-8(14)15)12-9(11-6)10(16)17-3/h4H,5H2,1-3H3,(H,14,15)
InChIKeyFPIRVSGEZGASBA-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.09
Rot. Bonds4

About 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid

2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid (PubChem CID 66288193) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid
PubChem CID66288193
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid
SMILESCOC(=O)c1nc(C)cc(N(C)CC(=O)O)n1
InChIInChI=1S/C10H13N3O4/c1-6-4-7(13(2)5-8(14)15)12-9(11-6)10(16)17-3/h4H,5H2,1-3H3,(H,14,15)
InChIKeyFPIRVSGEZGASBA-UHFFFAOYSA-N
XLogP0.09
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid (CID 66288193) is 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid is COC(=O)c1nc(C)cc(N(C)CC(=O)O)n1.
What is the InChIKey of 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid?
The InChIKey is FPIRVSGEZGASBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-6-4-7(13(2)5-8(14)15)12-9(11-6)10(16)17-3/h4H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid?
2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid has a molecular weight of 239.23 g/mol, XLogP of 0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)-methylamino]acetic acid is sourced from PubChem (CID 66288193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).