(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid

C11H14ClN3O2 — CID 95928534

IUPAC(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1cc(N2CCCC[C@@H]2C(=O)O)nc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-7-6-9(14-11(12)13-7)15-5-3-2-4-8(15)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyZXQSOOZXIOBDRR-MRVPVSSYSA-N
MW255.70 g/mol
LogP1.88
Rot. Bonds2

About (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid

(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid (PubChem CID 95928534) has the molecular formula C11H14ClN3O2 and a molecular weight of 255.70 g/mol. Its IUPAC name is (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
PubChem CID95928534
Molecular FormulaC11H14ClN3O2
Molecular Weight255.70 g/mol
Exact Mass255.08
IUPAC Name(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid
SMILESCc1cc(N2CCCC[C@@H]2C(=O)O)nc(Cl)n1
InChIInChI=1S/C11H14ClN3O2/c1-7-6-9(14-11(12)13-7)15-5-3-2-4-8(15)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)/t8-/m1/s1
InChIKeyZXQSOOZXIOBDRR-MRVPVSSYSA-N
XLogP1.88
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.70
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperazine-2-carboxylic acid
CID 97162747
[1-(2-chloro-6-methylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116635708
1-(2-methoxycarbonyl-6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 66290680
1-(2-chloro-6-methylpyrimidin-4-yl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 65324380
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 110277695
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 64831026
1-(5,6-dimethylpyrazin-2-yl)azepane-2-carboxylic acid
CID 114474477
1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidine-2-carboxylic acid
CID 81050172
1-(3-cyano-2,6-dimethyl-4-pyridinyl)azepane-2-carboxylic acid
CID 81060800
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid (CID 95928534) is (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid is Cc1cc(N2CCCC[C@@H]2C(=O)O)nc(Cl)n1.
What is the InChIKey of (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is ZXQSOOZXIOBDRR-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14ClN3O2/c1-7-6-9(14-11(12)13-7)15-5-3-2-4-8(15)10(16)17/h6,8H,2-5H2,1H3,(H,16,17)/t8-/m1/s1.
What are the key properties of (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid?
(2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 255.70 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-chloro-6-methylpyrimidin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 95928534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).