2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid

C11H15N3O4 — CID 110837140

IUPAC2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid
SMILESCc1cc(OCC(=O)N(C)C(C)C(=O)O)ncn1
InChIInChI=1S/C11H15N3O4/c1-7-4-9(13-6-12-7)18-5-10(15)14(3)8(2)11(16)17/h4,6,8H,5H2,1-3H3,(H,16,17)
InChIKeyDUWLLOLQANZKTK-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.10
Rot. Bonds5

About 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid

2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid (PubChem CID 110837140) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid
PubChem CID110837140
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid
SMILESCc1cc(OCC(=O)N(C)C(C)C(=O)O)ncn1
InChIInChI=1S/C11H15N3O4/c1-7-4-9(13-6-12-7)18-5-10(15)14(3)8(2)11(16)17/h4,6,8H,5H2,1-3H3,(H,16,17)
InChIKeyDUWLLOLQANZKTK-UHFFFAOYSA-N
XLogP0.10
TPSA92.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-{[6-Methyl-2-(pyrrolidin-1-yl)pyrimidin-4-yl]oxy}acetic acid
CID 71563746
2-((6-Methylpyrimidin-4-yl)oxy)acetic acid
CID 82413452
2-[(4-Ethoxy-6-methylpyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115973157
2-[(4-Methyl-6-propoxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115973158
2-[(4-Methyl-6-propan-2-yloxypyrimidin-2-yl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 115973159
Methyl 2-[(6-methylpyrimidin-4-yl)oxy]acetate
CID 15047491
Methyl 2-(6-methylpyrimidin-4-yl)oxypropanoate
CID 20602961
N-[4-(Carboxymethoxy)-6-methylpyrimidin-2-yl]glycine
CID 71376700
N-[4-(2-Ethoxy-2-oxoethoxy)-6-methylpyrimidin-2-yl]glycine
CID 71376701
N,N-dimethyl-2-(6-methylpyrimidin-4-yl)oxyethanamine
CID 89693256
N-methyl-N-[2-(6-methylpyrimidin-4-yl)oxyethyl]propan-1-amine
CID 89693275
1-[2-(6-Methylpyrimidin-4-yl)oxyethyl]pyrrolidin-2-one
CID 89693281

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid?
The IUPAC name of 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid (CID 110837140) is 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid.
What is the SMILES notation for 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid?
The canonical SMILES for 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid is Cc1cc(OCC(=O)N(C)C(C)C(=O)O)ncn1.
What is the InChIKey of 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid?
The InChIKey is DUWLLOLQANZKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-7-4-9(13-6-12-7)18-5-10(15)14(3)8(2)11(16)17/h4,6,8H,5H2,1-3H3,(H,16,17).
What are the key properties of 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid?
2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-(6-methylpyrimidin-4-yl)oxyacetyl]amino]propanoic acid is sourced from PubChem (CID 110837140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).