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

C11H13N3O4 — CID 54946218

IUPAC2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1cccnc1=O)C1CC1
InChIInChI=1S/C11H13N3O4/c15-9(6-13-5-1-4-12-11(13)18)14(7-10(16)17)8-2-3-8/h1,4-5,8H,2-3,6-7H2,(H,16,17)
InChIKeyUVFRHSOXCYJRFM-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.68
Rot. Bonds5

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

2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 54946218) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID54946218
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cn1cccnc1=O)C1CC1
InChIInChI=1S/C11H13N3O4/c15-9(6-13-5-1-4-12-11(13)18)14(7-10(16)17)8-2-3-8/h1,4-5,8H,2-3,6-7H2,(H,16,17)
InChIKeyUVFRHSOXCYJRFM-UHFFFAOYSA-N
XLogP-0.68
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 54946218) is 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is O=C(O)CN(C(=O)Cn1cccnc1=O)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is UVFRHSOXCYJRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9(6-13-5-1-4-12-11(13)18)14(7-10(16)17)8-2-3-8/h1,4-5,8H,2-3,6-7H2,(H,16,17).
What are the key properties of 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 251.24 g/mol, XLogP of -0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 54946218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).