3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid

C10H15N3O4 — CID 136958659

IUPAC3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
SMILESCOc1c(N(C)CC(C)C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6(10(15)16)4-13(2)8-7(17-3)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,15,16)(H,11,12,14)
InChIKeyVHDSBFDRVDUEHW-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.06
Rot. Bonds5

About 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid

3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid (PubChem CID 136958659) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
PubChem CID136958659
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid
SMILESCOc1c(N(C)CC(C)C(=O)O)nc[nH]c1=O
InChIInChI=1S/C10H15N3O4/c1-6(10(15)16)4-13(2)8-7(17-3)9(14)12-5-11-8/h5-6H,4H2,1-3H3,(H,15,16)(H,11,12,14)
InChIKeyVHDSBFDRVDUEHW-UHFFFAOYSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid (CID 136958659) is 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid is COc1c(N(C)CC(C)C(=O)O)nc[nH]c1=O.
What is the InChIKey of 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid?
The InChIKey is VHDSBFDRVDUEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-6(10(15)16)4-13(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 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid?
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 136958659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).