2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid

C10H13N3O3 — CID 110836325

IUPAC2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)nc(C)n1
InChIInChI=1S/C10H13N3O3/c1-6-4-8(12-7(2)11-6)10(16)13(3)5-9(14)15/h4H,5H2,1-3H3,(H,14,15)
InChIKeyKWQHQIKIZBAKAT-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.25
Rot. Bonds3

About 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid

2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid (PubChem CID 110836325) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid
PubChem CID110836325
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid
SMILESCc1cc(C(=O)N(C)CC(=O)O)nc(C)n1
InChIInChI=1S/C10H13N3O3/c1-6-4-8(12-7(2)11-6)10(16)13(3)5-9(14)15/h4H,5H2,1-3H3,(H,14,15)
InChIKeyKWQHQIKIZBAKAT-UHFFFAOYSA-N
XLogP0.25
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid (CID 110836325) is 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid is Cc1cc(C(=O)N(C)CC(=O)O)nc(C)n1.
What is the InChIKey of 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid?
The InChIKey is KWQHQIKIZBAKAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-4-8(12-7(2)11-6)10(16)13(3)5-9(14)15/h4H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid?
2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid has a molecular weight of 223.23 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethylpyrimidine-4-carbonyl)-methylamino]acetic acid is sourced from PubChem (CID 110836325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).