2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid

C9H11N3O4 — CID 175842758

IUPAC2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCn1cccnc1=O
InChIInChI=1S/C9H11N3O4/c13-7(11-6-8(14)15)2-5-12-4-1-3-10-9(12)16/h1,3-4H,2,5-6H2,(H,11,13)(H,14,15)
InChIKeyNQMJSNZGQXJIBQ-UHFFFAOYSA-N
MW225.20 g/mol
LogP-1.17
Rot. Bonds5

About 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid

2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid (PubChem CID 175842758) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid
PubChem CID175842758
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCn1cccnc1=O
InChIInChI=1S/C9H11N3O4/c13-7(11-6-8(14)15)2-5-12-4-1-3-10-9(12)16/h1,3-4H,2,5-6H2,(H,11,13)(H,14,15)
InChIKeyNQMJSNZGQXJIBQ-UHFFFAOYSA-N
XLogP-1.17
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid?
The IUPAC name of 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid (CID 175842758) is 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid?
The canonical SMILES for 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid is O=C(O)CNC(=O)CCn1cccnc1=O.
What is the InChIKey of 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid?
The InChIKey is NQMJSNZGQXJIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-7(11-6-8(14)15)2-5-12-4-1-3-10-9(12)16/h1,3-4H,2,5-6H2,(H,11,13)(H,14,15).
What are the key properties of 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid?
2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid has a molecular weight of 225.20 g/mol, XLogP of -1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-oxopyrimidin-1-yl)propanoylamino]acetic acid is sourced from PubChem (CID 175842758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).