3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid

C11H15N3O6 — CID 43357672

IUPAC3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H15N3O6/c1-5-6(9(17)14-11(20)12-5)2-3-8(16)13-7(4-15)10(18)19/h7,15H,2-4H2,1H3,(H,13,16)(H,18,19)(H2,12,14,17,20)
InChIKeyQRRXXNANRJOTHB-UHFFFAOYSA-N
MW285.26 g/mol
LogP-2.13
Rot. Bonds6

About 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid

3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid (PubChem CID 43357672) has the molecular formula C11H15N3O6 and a molecular weight of 285.26 g/mol. Its IUPAC name is 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
PubChem CID43357672
Molecular FormulaC11H15N3O6
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H15N3O6/c1-5-6(9(17)14-11(20)12-5)2-3-8(16)13-7(4-15)10(18)19/h7,15H,2-4H2,1H3,(H,13,16)(H,18,19)(H2,12,14,17,20)
InChIKeyQRRXXNANRJOTHB-UHFFFAOYSA-N
XLogP-2.13
TPSA152.35 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 5-2.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid (CID 43357672) is 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid?
The InChIKey is QRRXXNANRJOTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O6/c1-5-6(9(17)14-11(20)12-5)2-3-8(16)13-7(4-15)10(18)19/h7,15H,2-4H2,1H3,(H,13,16)(H,18,19)(H2,12,14,17,20).
What are the key properties of 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid?
3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid has a molecular weight of 285.26 g/mol, XLogP of -2.13, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]propanoic acid is sourced from PubChem (CID 43357672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).