(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

C10H13N3O2 — CID 94586856

IUPAC(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nccc(N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C10H13N3O2/c1-7-11-5-4-9(12-7)13-6-2-3-8(13)10(14)15/h4-5,8H,2-3,6H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyZYIWWMUOJGZXRK-MRVPVSSYSA-N
MW207.23 g/mol
LogP0.84
Rot. Bonds2

About (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid

(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 94586856) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID94586856
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nccc(N2CCC[C@@H]2C(=O)O)n1
InChIInChI=1S/C10H13N3O2/c1-7-11-5-4-9(12-7)13-6-2-3-8(13)10(14)15/h4-5,8H,2-3,6H2,1H3,(H,14,15)/t8-/m1/s1
InChIKeyZYIWWMUOJGZXRK-MRVPVSSYSA-N
XLogP0.84
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid (CID 94586856) is (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is Cc1nccc(N2CCC[C@@H]2C(=O)O)n1.
What is the InChIKey of (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZYIWWMUOJGZXRK-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-7-11-5-4-9(12-7)13-6-2-3-8(13)10(14)15/h4-5,8H,2-3,6H2,1H3,(H,14,15)/t8-/m1/s1.
What are the key properties of (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid?
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 207.23 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 94586856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).