(3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C15H21N3O2 — CID 133111171

IUPAC(3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1cnc(C)nc1N1C[C@H](C(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C15H21N3O2/c1-3-10-6-16-9(2)17-14(10)18-7-12(11-4-5-11)13(8-18)15(19)20/h6,11-13H,3-5,7-8H2,1-2H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyULCRXGMZHHJEQI-OLZOCXBDSA-N
MW275.35 g/mol
LogP1.89
Rot. Bonds4

About (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 133111171) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID133111171
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name(3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCCc1cnc(C)nc1N1C[C@H](C(=O)O)[C@@H](C2CC2)C1
InChIInChI=1S/C15H21N3O2/c1-3-10-6-16-9(2)17-14(10)18-7-12(11-4-5-11)13(8-18)15(19)20/h6,11-13H,3-5,7-8H2,1-2H3,(H,19,20)/t12-,13+/m1/s1
InChIKeyULCRXGMZHHJEQI-OLZOCXBDSA-N
XLogP1.89
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 133111171) is (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is CCc1cnc(C)nc1N1C[C@H](C(=O)O)[C@@H](C2CC2)C1.
What is the InChIKey of (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is ULCRXGMZHHJEQI-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-10-6-16-9(2)17-14(10)18-7-12(11-4-5-11)13(8-18)15(19)20/h6,11-13H,3-5,7-8H2,1-2H3,(H,19,20)/t12-,13+/m1/s1.
What are the key properties of (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclopropyl-1-(5-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 133111171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).