2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid

C9H13N3O3 — CID 43470191

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid
SMILESCCC(Nc1nccc(OC)n1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-3-6(8(13)14)11-9-10-5-4-7(12-9)15-2/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyILKBQSBTLIRKPT-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.76
Rot. Bonds5

About 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid

2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid (PubChem CID 43470191) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid
PubChem CID43470191
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid
SMILESCCC(Nc1nccc(OC)n1)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-3-6(8(13)14)11-9-10-5-4-7(12-9)15-2/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12)
InChIKeyILKBQSBTLIRKPT-UHFFFAOYSA-N
XLogP0.76
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid (CID 43470191) is 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid is CCC(Nc1nccc(OC)n1)C(=O)O.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid?
The InChIKey is ILKBQSBTLIRKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-3-6(8(13)14)11-9-10-5-4-7(12-9)15-2/h4-6H,3H2,1-2H3,(H,13,14)(H,10,11,12).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid?
2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.76, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrimidin-2-yl)amino]butanoic acid is sourced from PubChem (CID 43470191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).