2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid

C15H16N4O4 — CID 59508958

IUPAC2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid
SMILESCOc1ccccc1-c1cc(NC(=O)NC(C)C(=O)O)ncn1
InChIInChI=1S/C15H16N4O4/c1-9(14(20)21)18-15(22)19-13-7-11(16-8-17-13)10-5-3-4-6-12(10)23-2/h3-9H,1-2H3,(H,20,21)(H2,16,17,18,19,22)
InChIKeyWPLYZXOFLAHIFW-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.75
Rot. Bonds5

About 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid

2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid (PubChem CID 59508958) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid.

Molecular Properties

Compound Name2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid
PubChem CID59508958
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC Name2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid
SMILESCOc1ccccc1-c1cc(NC(=O)NC(C)C(=O)O)ncn1
InChIInChI=1S/C15H16N4O4/c1-9(14(20)21)18-15(22)19-13-7-11(16-8-17-13)10-5-3-4-6-12(10)23-2/h3-9H,1-2H3,(H,20,21)(H2,16,17,18,19,22)
InChIKeyWPLYZXOFLAHIFW-UHFFFAOYSA-N
XLogP1.75
TPSA113.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid?
The IUPAC name of 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid (CID 59508958) is 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid.
What is the SMILES notation for 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid?
The canonical SMILES for 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid is COc1ccccc1-c1cc(NC(=O)NC(C)C(=O)O)ncn1.
What is the InChIKey of 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid?
The InChIKey is WPLYZXOFLAHIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-9(14(20)21)18-15(22)19-13-7-11(16-8-17-13)10-5-3-4-6-12(10)23-2/h3-9H,1-2H3,(H,20,21)(H2,16,17,18,19,22).
What are the key properties of 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid?
2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid has a molecular weight of 316.32 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methoxyphenyl)pyrimidin-4-yl]carbamoylamino]propanoic acid is sourced from PubChem (CID 59508958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).