(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid

C14H19N3O4 — CID 66264131

IUPAC(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-8-10(9(2)16-14(21)15-8)7-12(18)17-6-4-3-5-11(17)13(19)20/h11H,3-7H2,1-2H3,(H,19,20)(H,15,16,21)/t11-/m0/s1
InChIKeyONYNUJKVYYYZIO-NSHDSACASA-N
MW293.32 g/mol
LogP0.39
Rot. Bonds3

About (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid

(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid (PubChem CID 66264131) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid
PubChem CID66264131
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)N1CCCC[C@H]1C(=O)O
InChIInChI=1S/C14H19N3O4/c1-8-10(9(2)16-14(21)15-8)7-12(18)17-6-4-3-5-11(17)13(19)20/h11H,3-7H2,1-2H3,(H,19,20)(H,15,16,21)/t11-/m0/s1
InChIKeyONYNUJKVYYYZIO-NSHDSACASA-N
XLogP0.39
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid?
The IUPAC name of (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid (CID 66264131) is (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)N1CCCC[C@H]1C(=O)O.
What is the InChIKey of (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid?
The InChIKey is ONYNUJKVYYYZIO-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O4/c1-8-10(9(2)16-14(21)15-8)7-12(18)17-6-4-3-5-11(17)13(19)20/h11H,3-7H2,1-2H3,(H,19,20)(H,15,16,21)/t11-/m0/s1.
What are the key properties of (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid?
(2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 66264131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).