(3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid

C20H30N2O3 — CID 90129705

IUPAC(3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)CC1CC(c2onc([C@H]3CNC[C@@H]3C(=O)O)c2C2CC2)C1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)8-11-6-13(7-11)18-16(12-4-5-12)17(22-25-18)14-9-21-10-15(14)19(23)24/h11-15,21H,4-10H2,1-3H3,(H,23,24)/t11?,13?,14-,15-/m0/s1
InChIKeyPJGGZLYXTFDBEV-MOQPVCNJSA-N
MW346.47 g/mol
LogP3.87
Rot. Bonds5

About (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid

(3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid (PubChem CID 90129705) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid
PubChem CID90129705
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name(3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid
SMILESCC(C)(C)CC1CC(c2onc([C@H]3CNC[C@@H]3C(=O)O)c2C2CC2)C1
InChIInChI=1S/C20H30N2O3/c1-20(2,3)8-11-6-13(7-11)18-16(12-4-5-12)17(22-25-18)14-9-21-10-15(14)19(23)24/h11-15,21H,4-10H2,1-3H3,(H,23,24)/t11?,13?,14-,15-/m0/s1
InChIKeyPJGGZLYXTFDBEV-MOQPVCNJSA-N
XLogP3.87
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid (CID 90129705) is (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid is CC(C)(C)CC1CC(c2onc([C@H]3CNC[C@@H]3C(=O)O)c2C2CC2)C1.
What is the InChIKey of (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid?
The InChIKey is PJGGZLYXTFDBEV-MOQPVCNJSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-20(2,3)8-11-6-13(7-11)18-16(12-4-5-12)17(22-25-18)14-9-21-10-15(14)19(23)24/h11-15,21H,4-10H2,1-3H3,(H,23,24)/t11?,13?,14-,15-/m0/s1.
What are the key properties of (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid?
(3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid has a molecular weight of 346.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[4-cyclopropyl-5-[3-(2,2-dimethylpropyl)cyclobutyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 90129705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).