(2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid

C8H11NO2 — CID 129017178

IUPAC(2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid
SMILESCC1C(C(=O)O)=CC=N[C@@H]1C
InChIInChI=1S/C8H11NO2/c1-5-6(2)9-4-3-7(5)8(10)11/h3-6H,1-2H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyVRHAJLZYNQIECB-PRJDIBJQSA-N
MW153.18 g/mol
LogP1.11
Rot. Bonds1

About (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid

(2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid (PubChem CID 129017178) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid.

Molecular Properties

Compound Name(2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid
PubChem CID129017178
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name(2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid
SMILESCC1C(C(=O)O)=CC=N[C@@H]1C
InChIInChI=1S/C8H11NO2/c1-5-6(2)9-4-3-7(5)8(10)11/h3-6H,1-2H3,(H,10,11)/t5?,6-/m1/s1
InChIKeyVRHAJLZYNQIECB-PRJDIBJQSA-N
XLogP1.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid?
The IUPAC name of (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid (CID 129017178) is (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid.
What is the SMILES notation for (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid?
The canonical SMILES for (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid is CC1C(C(=O)O)=CC=N[C@@H]1C.
What is the InChIKey of (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid?
The InChIKey is VRHAJLZYNQIECB-PRJDIBJQSA-N. The full InChI is InChI=1S/C8H11NO2/c1-5-6(2)9-4-3-7(5)8(10)11/h3-6H,1-2H3,(H,10,11)/t5?,6-/m1/s1.
What are the key properties of (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid?
(2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid has a molecular weight of 153.18 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2,3-dimethyl-2,3-dihydropyridine-4-carboxylic acid is sourced from PubChem (CID 129017178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).