2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid

C12H17N3O4 — CID 63644575

IUPAC2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid
SMILESCc1cc(N(CC(=O)O)CC(=O)O)nc(C(C)C)n1
InChIInChI=1S/C12H17N3O4/c1-7(2)12-13-8(3)4-9(14-12)15(5-10(16)17)6-11(18)19/h4,7H,5-6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGAHUVJNGNTUMHA-UHFFFAOYSA-N
MW267.28 g/mol
LogP0.88
Rot. Bonds6

About 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid

2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid (PubChem CID 63644575) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid
PubChem CID63644575
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid
SMILESCc1cc(N(CC(=O)O)CC(=O)O)nc(C(C)C)n1
InChIInChI=1S/C12H17N3O4/c1-7(2)12-13-8(3)4-9(14-12)15(5-10(16)17)6-11(18)19/h4,7H,5-6H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyGAHUVJNGNTUMHA-UHFFFAOYSA-N
XLogP0.88
TPSA103.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid (CID 63644575) is 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid is Cc1cc(N(CC(=O)O)CC(=O)O)nc(C(C)C)n1.
What is the InChIKey of 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
The InChIKey is GAHUVJNGNTUMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-7(2)12-13-8(3)4-9(14-12)15(5-10(16)17)6-11(18)19/h4,7H,5-6H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid?
2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid has a molecular weight of 267.28 g/mol, XLogP of 0.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]acetic acid is sourced from PubChem (CID 63644575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).