3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid

C14H19N3O4 — CID 43568533

IUPAC3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(CC(=O)NC2CC2)c(C)c1CCC(=O)O
InChIInChI=1S/C14H19N3O4/c1-8-11(5-6-13(19)20)9(2)17(14(21)15-8)7-12(18)16-10-3-4-10/h10H,3-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGEEBVJCBBJAZHO-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.16
Rot. Bonds6

About 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid

3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid (PubChem CID 43568533) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
PubChem CID43568533
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(CC(=O)NC2CC2)c(C)c1CCC(=O)O
InChIInChI=1S/C14H19N3O4/c1-8-11(5-6-13(19)20)9(2)17(14(21)15-8)7-12(18)16-10-3-4-10/h10H,3-7H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyGEEBVJCBBJAZHO-UHFFFAOYSA-N
XLogP0.16
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid (CID 43568533) is 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid is Cc1nc(=O)n(CC(=O)NC2CC2)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid?
The InChIKey is GEEBVJCBBJAZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-11(5-6-13(19)20)9(2)17(14(21)15-8)7-12(18)16-10-3-4-10/h10H,3-7H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid?
3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid has a molecular weight of 293.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(cyclopropylamino)-2-oxoethyl]-4,6-dimethyl-2-oxopyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 43568533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).