(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid

C12H15N3O4 — CID 66264280

IUPAC(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O4/c16-10(8-14-6-3-5-13-12(14)19)15-7-2-1-4-9(15)11(17)18/h3,5-6,9H,1-2,4,7-8H2,(H,17,18)/t9-/m0/s1
InChIKeyYNGMMPFHXXOTIM-VIFPVBQESA-N
MW265.27 g/mol
LogP-0.29
Rot. Bonds3

About (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid

(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 66264280) has the molecular formula C12H15N3O4 and a molecular weight of 265.27 g/mol. Its IUPAC name is (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID66264280
Molecular FormulaC12H15N3O4
Molecular Weight265.27 g/mol
Exact Mass265.11
IUPAC Name(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)Cn1cccnc1=O
InChIInChI=1S/C12H15N3O4/c16-10(8-14-6-3-5-13-12(14)19)15-7-2-1-4-9(15)11(17)18/h3,5-6,9H,1-2,4,7-8H2,(H,17,18)/t9-/m0/s1
InChIKeyYNGMMPFHXXOTIM-VIFPVBQESA-N
XLogP-0.29
TPSA92.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
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 (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid (CID 66264280) is (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)Cn1cccnc1=O.
What is the InChIKey of (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is YNGMMPFHXXOTIM-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O4/c16-10(8-14-6-3-5-13-12(14)19)15-7-2-1-4-9(15)11(17)18/h3,5-6,9H,1-2,4,7-8H2,(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid?
(2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of -0.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2-oxopyrimidin-1-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66264280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).