1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid

C10H14N4O3 — CID 136958321

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESNc1c(N2CCCC(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-5-13-9(7)15)14-3-1-2-6(4-14)10(16)17/h5-6H,1-4,11H2,(H,16,17)(H,12,13,15)
InChIKeyZPWVLRYTBUATNR-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.35
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 136958321) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID136958321
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESNc1c(N2CCCC(C(=O)O)C2)nc[nH]c1=O
InChIInChI=1S/C10H14N4O3/c11-7-8(12-5-13-9(7)15)14-3-1-2-6(4-14)10(16)17/h5-6H,1-4,11H2,(H,16,17)(H,12,13,15)
InChIKeyZPWVLRYTBUATNR-UHFFFAOYSA-N
XLogP-0.35
TPSA112.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid (CID 136958321) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid is Nc1c(N2CCCC(C(=O)O)C2)nc[nH]c1=O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is ZPWVLRYTBUATNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c11-7-8(12-5-13-9(7)15)14-3-1-2-6(4-14)10(16)17/h5-6H,1-4,11H2,(H,16,17)(H,12,13,15).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid has a molecular weight of 238.25 g/mol, XLogP of -0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 136958321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).