4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid

C10H15N3O4 — CID 136958400

IUPAC4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
SMILESCOc1c(N(C)CCCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-13(5-3-4-7(14)15)9-8(17-2)10(16)12-6-11-9/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,16)
InChIKeyZAJNNNCQTMWLNP-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.08
Rot. Bonds6

About 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid

4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid (PubChem CID 136958400) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
PubChem CID136958400
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
SMILESCOc1c(N(C)CCCC(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-13(5-3-4-7(14)15)9-8(17-2)10(16)12-6-11-9/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,16)
InChIKeyZAJNNNCQTMWLNP-UHFFFAOYSA-N
XLogP0.08
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid?
The IUPAC name of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid (CID 136958400) is 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid.
What is the SMILES notation for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid?
The canonical SMILES for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid is COc1c(N(C)CCCC(=O)O)nc[nH]c1=O.
What is the InChIKey of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid?
The InChIKey is ZAJNNNCQTMWLNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-13(5-3-4-7(14)15)9-8(17-2)10(16)12-6-11-9/h6H,3-5H2,1-2H3,(H,14,15)(H,11,12,16).
What are the key properties of 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid?
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid is sourced from PubChem (CID 136958400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).