(3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid

C10H12ClN3O3 — CID 135122965

IUPAC(3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2ncc(Cl)c(=O)[nH]2)C1
InChIInChI=1S/C10H12ClN3O3/c11-7-4-12-10(13-8(7)15)14-3-1-2-6(5-14)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H,12,13,15)/t6-/m1/s1
InChIKeyHXVPJASPEMPRAA-ZCFIWIBFSA-N
MW257.68 g/mol
LogP0.72
Rot. Bonds2

About (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid

(3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 135122965) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID135122965
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name(3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN(c2ncc(Cl)c(=O)[nH]2)C1
InChIInChI=1S/C10H12ClN3O3/c11-7-4-12-10(13-8(7)15)14-3-1-2-6(5-14)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H,12,13,15)/t6-/m1/s1
InChIKeyHXVPJASPEMPRAA-ZCFIWIBFSA-N
XLogP0.72
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid (CID 135122965) is (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid is O=C(O)[C@@H]1CCCN(c2ncc(Cl)c(=O)[nH]2)C1.
What is the InChIKey of (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is HXVPJASPEMPRAA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-7-4-12-10(13-8(7)15)14-3-1-2-6(5-14)9(16)17/h4,6H,1-3,5H2,(H,16,17)(H,12,13,15)/t6-/m1/s1.
What are the key properties of (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid?
(3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 257.68 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(5-chloro-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 135122965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).