(3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid

C11H15N3O3 — CID 136827875

IUPAC(3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cc(=O)[nH]c(N2CCC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-7-5-9(15)13-11(12-7)14-4-2-3-8(6-14)10(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)/t8-/m1/s1
InChIKeyKSESZCUBSGESJO-MRVPVSSYSA-N
MW237.26 g/mol
LogP0.38
Rot. Bonds2

About (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid

(3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid (PubChem CID 136827875) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
PubChem CID136827875
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
SMILESCc1cc(=O)[nH]c(N2CCC[C@@H](C(=O)O)C2)n1
InChIInChI=1S/C11H15N3O3/c1-7-5-9(15)13-11(12-7)14-4-2-3-8(6-14)10(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)/t8-/m1/s1
InChIKeyKSESZCUBSGESJO-MRVPVSSYSA-N
XLogP0.38
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 97619984
(3R)-1-[1-methyl-6-oxo-4-(trifluoromethyl)pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 97619985
1-(1-Methyl-6-oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 102549310
ethyl 1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-3-carboxylate
CID 136741327
1-(6-Oxo-4-(trifluoromethyl)-1,6-dihydropyrimidin-2-yl)piperidine-3-carboxylic acid
CID 136741441
(3S)-1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 136901055
(3R)-1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-3-carboxylic acid
CID 136901056
1-[2-(4-methyl-2,6-dioxo-3,6-dihydropyrimidin-1(2H)-yl)ethyl]piperidine-3-carboxylic acid
CID 91834882
(3S)-1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97619398
(3R)-1-(5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97619399
(3S)-1-(1,4-dimethyl-6-oxopyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97619927
(3R)-1-(1,4-dimethyl-6-oxopyrimidin-2-yl)piperidine-3-carboxylic acid
CID 97619928

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid (CID 136827875) is (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid is Cc1cc(=O)[nH]c(N2CCC[C@@H](C(=O)O)C2)n1.
What is the InChIKey of (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid?
The InChIKey is KSESZCUBSGESJO-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-5-9(15)13-11(12-7)14-4-2-3-8(6-14)10(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)/t8-/m1/s1.
What are the key properties of (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid?
(3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 136827875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).