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

C11H13N3O4 — CID 62694951

IUPAC2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(Cn1cccnc1=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O4/c15-8(6-14-5-1-4-12-11(14)18)13-9(10(16)17)7-2-3-7/h1,4-5,7,9H,2-3,6H2,(H,13,15)(H,16,17)
InChIKeyUYEBJYCUEYIMPH-UHFFFAOYSA-N
MW251.24 g/mol
LogP-0.78
Rot. Bonds5

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

2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (PubChem CID 62694951) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
PubChem CID62694951
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid
SMILESO=C(Cn1cccnc1=O)NC(C(=O)O)C1CC1
InChIInChI=1S/C11H13N3O4/c15-8(6-14-5-1-4-12-11(14)18)13-9(10(16)17)7-2-3-7/h1,4-5,7,9H,2-3,6H2,(H,13,15)(H,16,17)
InChIKeyUYEBJYCUEYIMPH-UHFFFAOYSA-N
XLogP-0.78
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid (CID 62694951) is 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is O=C(Cn1cccnc1=O)NC(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
The InChIKey is UYEBJYCUEYIMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-8(6-14-5-1-4-12-11(14)18)13-9(10(16)17)7-2-3-7/h1,4-5,7,9H,2-3,6H2,(H,13,15)(H,16,17).
What are the key properties of 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid?
2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid has a molecular weight of 251.24 g/mol, XLogP of -0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]acetic acid is sourced from PubChem (CID 62694951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).