(2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid

C13H17N3O4 — CID 99973590

IUPAC(2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ncc(C(=O)N2CCCC[C@@]2(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H17N3O4/c1-8-14-7-9(10(17)15-8)11(18)16-6-4-3-5-13(16,2)12(19)20/h7H,3-6H2,1-2H3,(H,19,20)(H,14,15,17)/t13-/m0/s1
InChIKeyOMGICGTYQONJIC-ZDUSSCGKSA-N
MW279.30 g/mol
LogP0.55
Rot. Bonds2

About (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid

(2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid (PubChem CID 99973590) has the molecular formula C13H17N3O4 and a molecular weight of 279.30 g/mol. Its IUPAC name is (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
PubChem CID99973590
Molecular FormulaC13H17N3O4
Molecular Weight279.30 g/mol
Exact Mass279.12
IUPAC Name(2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
SMILESCc1ncc(C(=O)N2CCCC[C@@]2(C)C(=O)O)c(=O)[nH]1
InChIInChI=1S/C13H17N3O4/c1-8-14-7-9(10(17)15-8)11(18)16-6-4-3-5-13(16,2)12(19)20/h7H,3-6H2,1-2H3,(H,19,20)(H,14,15,17)/t13-/m0/s1
InChIKeyOMGICGTYQONJIC-ZDUSSCGKSA-N
XLogP0.55
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-1-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)carbonyl]piperidine-2-carboxylic acid
CID 86284831
(2R)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid
CID 99973591
2-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136972391
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-2-methylpiperidine-2-carboxylic acid
CID 136972394
2-methyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 137015942

Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid (CID 99973590) is (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid is Cc1ncc(C(=O)N2CCCC[C@@]2(C)C(=O)O)c(=O)[nH]1.
What is the InChIKey of (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is OMGICGTYQONJIC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O4/c1-8-14-7-9(10(17)15-8)11(18)16-6-4-3-5-13(16,2)12(19)20/h7H,3-6H2,1-2H3,(H,19,20)(H,14,15,17)/t13-/m0/s1.
What are the key properties of (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid?
(2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 279.30 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-(2-methyl-6-oxo-1H-pyrimidine-5-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 99973590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).