2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

C11H13N3O5 — CID 55108579

IUPAC2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O5/c15-7(13-9(10(17)18)5-1-2-5)3-6-4-8(16)14-11(19)12-6/h4-5,9H,1-3H2,(H,13,15)(H,17,18)(H2,12,14,16,19)
InChIKeyGYAYQNDHIGDERT-UHFFFAOYSA-N
MW267.24 g/mol
LogP-1.41
Rot. Bonds5

About 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid

2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (PubChem CID 55108579) has the molecular formula C11H13N3O5 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
PubChem CID55108579
Molecular FormulaC11H13N3O5
Molecular Weight267.24 g/mol
Exact Mass267.09
IUPAC Name2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid
SMILESO=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O5/c15-7(13-9(10(17)18)5-1-2-5)3-6-4-8(16)14-11(19)12-6/h4-5,9H,1-3H2,(H,13,15)(H,17,18)(H2,12,14,16,19)
InChIKeyGYAYQNDHIGDERT-UHFFFAOYSA-N
XLogP-1.41
TPSA132.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-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-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid (CID 55108579) is 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is O=C(Cc1cc(=O)[nH]c(=O)[nH]1)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
The InChIKey is GYAYQNDHIGDERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O5/c15-7(13-9(10(17)18)5-1-2-5)3-6-4-8(16)14-11(19)12-6/h4-5,9H,1-3H2,(H,13,15)(H,17,18)(H2,12,14,16,19).
What are the key properties of 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid has a molecular weight of 267.24 g/mol, XLogP of -1.41, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 55108579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).