(2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid

C12H15N3O5 — CID 66264674

IUPAC(2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-5-7(13-12(20)14-9)6-10(17)15-4-2-1-3-8(15)11(18)19/h5,8H,1-4,6H2,(H,18,19)(H2,13,14,16,20)/t8-/m0/s1
InChIKeyRWQOSXJQSNWGAC-QMMMGPOBSA-N
MW281.27 g/mol
LogP-0.93
Rot. Bonds3

About (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid

(2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 66264674) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID66264674
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Name(2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C12H15N3O5/c16-9-5-7(13-12(20)14-9)6-10(17)15-4-2-1-3-8(15)11(18)19/h5,8H,1-4,6H2,(H,18,19)(H2,13,14,16,20)/t8-/m0/s1
InChIKeyRWQOSXJQSNWGAC-QMMMGPOBSA-N
XLogP-0.93
TPSA123.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid (CID 66264674) is (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid is O=C(O)[C@@H]1CCCCN1C(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is RWQOSXJQSNWGAC-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H15N3O5/c16-9-5-7(13-12(20)14-9)6-10(17)15-4-2-1-3-8(15)11(18)19/h5,8H,1-4,6H2,(H,18,19)(H2,13,14,16,20)/t8-/m0/s1.
What are the key properties of (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid?
(2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 281.27 g/mol, XLogP of -0.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66264674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).