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

C12H15N3O4 — CID 54926593

IUPAC3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)Cn1cccnc1=O)C1CC1
InChIInChI=1S/C12H15N3O4/c16-10(8-14-6-1-5-13-12(14)19)15(9-2-3-9)7-4-11(17)18/h1,5-6,9H,2-4,7-8H2,(H,17,18)
InChIKeyWQMBREHOPXGKIT-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.29
Rot. Bonds6

About 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid

3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (PubChem CID 54926593) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
PubChem CID54926593
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid
SMILESO=C(O)CCN(C(=O)Cn1cccnc1=O)C1CC1
InChIInChI=1S/C12H15N3O4/c16-10(8-14-6-1-5-13-12(14)19)15(9-2-3-9)7-4-11(17)18/h1,5-6,9H,2-4,7-8H2,(H,17,18)
InChIKeyWQMBREHOPXGKIT-UHFFFAOYSA-N
XLogP-0.29
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid (CID 54926593) is 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is O=C(O)CCN(C(=O)Cn1cccnc1=O)C1CC1.
What is the InChIKey of 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
The InChIKey is WQMBREHOPXGKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10(8-14-6-1-5-13-12(14)19)15(9-2-3-9)7-4-11(17)18/h1,5-6,9H,2-4,7-8H2,(H,17,18).
What are the key properties of 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid?
3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid has a molecular weight of 265.27 g/mol, XLogP of -0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-[2-(2-oxopyrimidin-1-yl)acetyl]amino]propanoic acid is sourced from PubChem (CID 54926593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).