1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid

C13H17N3O3 — CID 136740865

IUPAC1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C13H17N3O3/c17-11-8-4-3-5-9(8)14-13(15-11)16-7-2-1-6-10(16)12(18)19/h10H,1-7H2,(H,18,19)(H,14,15,17)
InChIKeyGORITFZTAGZEAP-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.70
Rot. Bonds2

About 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid

1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid (PubChem CID 136740865) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid
PubChem CID136740865
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C13H17N3O3/c17-11-8-4-3-5-9(8)14-13(15-11)16-7-2-1-6-10(16)12(18)19/h10H,1-7H2,(H,18,19)(H,14,15,17)
InChIKeyGORITFZTAGZEAP-UHFFFAOYSA-N
XLogP0.70
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid (CID 136740865) is 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid?
The InChIKey is GORITFZTAGZEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c17-11-8-4-3-5-9(8)14-13(15-11)16-7-2-1-6-10(16)12(18)19/h10H,1-7H2,(H,18,19)(H,14,15,17).
What are the key properties of 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid?
1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 136740865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).