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

C11H15N3O3 — CID 136914109

IUPAC(3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1nc(N2CCC[C@H](C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-12-9(5-10(15)13-7)14-4-2-3-8(6-14)11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)/t8-/m0/s1
InChIKeyNIVMWLHXXWJYCA-QMMMGPOBSA-N
MW237.26 g/mol
LogP0.38
Rot. Bonds2

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

(3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid (PubChem CID 136914109) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is (3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
PubChem CID136914109
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name(3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
SMILESCc1nc(N2CCC[C@H](C(=O)O)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15N3O3/c1-7-12-9(5-10(15)13-7)14-4-2-3-8(6-14)11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)/t8-/m0/s1
InChIKeyNIVMWLHXXWJYCA-QMMMGPOBSA-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

4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 83878711
4-Oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylic acid
CID 83878713
1-(4-Hydroxy-6-methylpyrimidin-2-yl)piperidine-3-carboxylic acid
CID 135968960
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-4-carboxylic acid
CID 136672024
2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 136672028
(3S)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136776189
(3R)-1-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136776190
[1-(2-Amino-6-oxo-1,6-dihydropyrimidin-4-yl)piperidin-4-yl]acetic acid
CID 136776191
(3S)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 136827874
(3R)-1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)piperidine-3-carboxylic acid
CID 136827875
4,4-dimethyl-2-[[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 136857999
2-[[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-4,4-dimethylpentanoic acid
CID 136858005

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid (CID 136914109) is (3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid is Cc1nc(N2CCC[C@H](C(=O)O)C2)cc(=O)[nH]1.
What is the InChIKey of (3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
The InChIKey is NIVMWLHXXWJYCA-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-12-9(5-10(15)13-7)14-4-2-3-8(6-14)11(16)17/h5,8H,2-4,6H2,1H3,(H,16,17)(H,12,13,15)/t8-/m0/s1.
What are the key properties of (3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid?
(3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-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 (3S)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 136914109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).