3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid

C11H15N3O3 — CID 110836290

IUPAC3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid
SMILESCc1ncncc1C(=O)N(C)C(C)CC(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(4-10(15)16)14(3)11(17)9-5-12-6-13-8(9)2/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyBXUUBECAKBBQBV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.72
Rot. Bonds4

About 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid

3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid (PubChem CID 110836290) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid.

Molecular Properties

Compound Name3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid
PubChem CID110836290
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid
SMILESCc1ncncc1C(=O)N(C)C(C)CC(=O)O
InChIInChI=1S/C11H15N3O3/c1-7(4-10(15)16)14(3)11(17)9-5-12-6-13-8(9)2/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyBXUUBECAKBBQBV-UHFFFAOYSA-N
XLogP0.72
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid?
The IUPAC name of 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid (CID 110836290) is 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid.
What is the SMILES notation for 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid?
The canonical SMILES for 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid is Cc1ncncc1C(=O)N(C)C(C)CC(=O)O.
What is the InChIKey of 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid?
The InChIKey is BXUUBECAKBBQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(4-10(15)16)14(3)11(17)9-5-12-6-13-8(9)2/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid?
3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid has a molecular weight of 237.26 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(4-methylpyrimidine-5-carbonyl)amino]butanoic acid is sourced from PubChem (CID 110836290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).