2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid

C11H15N3O4 — CID 61011691

IUPAC2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-2-5-13(8-10(16)17)9(15)7-14-6-3-4-12-11(14)18/h3-4,6H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyPUSMZKKIEMLCRM-UHFFFAOYSA-N
MW253.26 g/mol
LogP-0.43
Rot. Bonds6

About 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid

2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid (PubChem CID 61011691) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid.

Molecular Properties

Compound Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid
PubChem CID61011691
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Name2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid
SMILESCCCN(CC(=O)O)C(=O)Cn1cccnc1=O
InChIInChI=1S/C11H15N3O4/c1-2-5-13(8-10(16)17)9(15)7-14-6-3-4-12-11(14)18/h3-4,6H,2,5,7-8H2,1H3,(H,16,17)
InChIKeyPUSMZKKIEMLCRM-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 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid?
The IUPAC name of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid (CID 61011691) is 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid.
What is the SMILES notation for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid?
The canonical SMILES for 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid is CCCN(CC(=O)O)C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid?
The InChIKey is PUSMZKKIEMLCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-5-13(8-10(16)17)9(15)7-14-6-3-4-12-11(14)18/h3-4,6H,2,5,7-8H2,1H3,(H,16,17).
What are the key properties of 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid?
2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic 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 2-[[2-(2-oxopyrimidin-1-yl)acetyl]-propylamino]acetic acid is sourced from PubChem (CID 61011691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).