3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid

C11H15N3O4 — CID 61007473

IUPAC3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-2-13(7-4-10(16)17)9(15)8-14-6-3-5-12-11(14)18/h3,5-6H,2,4,7-8H2,1H3,(H,16,17)
InChIKeyYDUNBZDUAUCCQT-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.43
Rot. Bonds6

About 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid

3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 61007473) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID61007473
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-2-13(7-4-10(16)17)9(15)8-14-6-3-5-12-11(14)18/h3,5-6H,2,4,7-8H2,1H3,(H,16,17)
InChIKeyYDUNBZDUAUCCQT-UHFFFAOYSA-N
XLogP-0.43
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 61007473) is 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is YDUNBZDUAUCCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-13(7-4-10(16)17)9(15)8-14-6-3-5-12-11(14)18/h3,5-6H,2,4,7-8H2,1H3,(H,16,17).
What are the key properties of 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 253.26 g/mol, XLogP of -0.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 61007473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).