1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid

C10H13N3O3 — CID 136958329

IUPAC1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c14-9-5-8(11-6-12-9)13-4-2-1-3-7(13)10(15)16/h5-7H,1-4H2,(H,15,16)(H,11,12,14)
InChIKeyIYIUFWGPAORARY-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.21
Rot. Bonds2

About 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid

1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 136958329) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID136958329
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1cc(=O)[nH]cn1
InChIInChI=1S/C10H13N3O3/c14-9-5-8(11-6-12-9)13-4-2-1-3-7(13)10(15)16/h5-7H,1-4H2,(H,15,16)(H,11,12,14)
InChIKeyIYIUFWGPAORARY-UHFFFAOYSA-N
XLogP0.21
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-2-carboxylic acid
CID 136741440
1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-2-carboxylic acid
CID 136219658
3,3-dimethyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689831
3-methyl-1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136896343
1-(6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 136958315
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958328
1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958330
1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958331
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136958332
6-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958357
2-[(6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958439
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958441

Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid (CID 136958329) is 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1cc(=O)[nH]cn1.
What is the InChIKey of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is IYIUFWGPAORARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-5-8(11-6-12-9)13-4-2-1-3-7(13)10(15)16/h5-7H,1-4H2,(H,15,16)(H,11,12,14).
What are the key properties of 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid?
1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 136958329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).