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

C12H15N3O4 — CID 61370677

IUPAC2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O4/c16-10(8-14-5-2-4-13-12(14)19)15-6-1-3-9(15)7-11(17)18/h2,4-5,9H,1,3,6-8H2,(H,17,18)
InChIKeySNQOYXMDVQCMLO-UHFFFAOYSA-N
MW265.27 g/mol
LogP-0.29
Rot. Bonds4

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

2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid (PubChem CID 61370677) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
PubChem CID61370677
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O4/c16-10(8-14-5-2-4-13-12(14)19)15-6-1-3-9(15)7-11(17)18/h2,4-5,9H,1,3,6-8H2,(H,17,18)
InChIKeySNQOYXMDVQCMLO-UHFFFAOYSA-N
XLogP-0.29
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
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 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The IUPAC name of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid (CID 61370677) is 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid is O=C(O)CC1CCCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
The InChIKey is SNQOYXMDVQCMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10(8-14-5-2-4-13-12(14)19)15-6-1-3-9(15)7-11(17)18/h2,4-5,9H,1,3,6-8H2,(H,17,18).
What are the key properties of 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid?
2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid has a molecular weight of 265.27 g/mol, XLogP of -0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]acetic acid is sourced from PubChem (CID 61370677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).