2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid

C10H15N3O4 — CID 136958708

IUPAC2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H15N3O4/c1-4-6(10(15)16)13(2)8-7(17-3)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,15,16)(H,11,12,14)
InChIKeyDZJBVFVMEPRVAW-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.08
Rot. Bonds5

About 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid

2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid (PubChem CID 136958708) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid.

Molecular Properties

Compound Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
PubChem CID136958708
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid
SMILESCCC(C(=O)O)N(C)c1nc[nH]c(=O)c1OC
InChIInChI=1S/C10H15N3O4/c1-4-6(10(15)16)13(2)8-7(17-3)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,15,16)(H,11,12,14)
InChIKeyDZJBVFVMEPRVAW-UHFFFAOYSA-N
XLogP0.08
TPSA95.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid?
The IUPAC name of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid (CID 136958708) is 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid.
What is the SMILES notation for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid?
The canonical SMILES for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid is CCC(C(=O)O)N(C)c1nc[nH]c(=O)c1OC.
What is the InChIKey of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid?
The InChIKey is DZJBVFVMEPRVAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-4-6(10(15)16)13(2)8-7(17-3)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,15,16)(H,11,12,14).
What are the key properties of 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid?
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid has a molecular weight of 241.25 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]butanoic acid is sourced from PubChem (CID 136958708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).