(4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane

C22H36N2O3 — CID 144615117

IUPAC(4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane
SMILESCC.CC(C)CC1CCC(c2onc([C@H]3CNCC3C(=O)O)c2C2CC2)C1
InChIInChI=1S/C20H30N2O3.C2H6/c1-11(2)7-12-3-4-14(8-12)19-17(13-5-6-13)18(22-25-19)15-9-21-10-16(15)20(23)24;1-2/h11-16,21H,3-10H2,1-2H3,(H,23,24);1-2H3/t12?,14?,15-,16?;/m0./s1
InChIKeyMRYXYPZJWWTGBE-ZZXKDPDVSA-N
MW376.54 g/mol
LogP4.90
Rot. Bonds6

About (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane

(4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane (PubChem CID 144615117) has the molecular formula C22H36N2O3 and a molecular weight of 376.54 g/mol. Its IUPAC name is (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name(4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane
PubChem CID144615117
Molecular FormulaC22H36N2O3
Molecular Weight376.54 g/mol
Exact Mass376.27
IUPAC Name(4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane
SMILESCC.CC(C)CC1CCC(c2onc([C@H]3CNCC3C(=O)O)c2C2CC2)C1
InChIInChI=1S/C20H30N2O3.C2H6/c1-11(2)7-12-3-4-14(8-12)19-17(13-5-6-13)18(22-25-19)15-9-21-10-16(15)20(23)24;1-2/h11-16,21H,3-10H2,1-2H3,(H,23,24);1-2H3/t12?,14?,15-,16?;/m0./s1
InChIKeyMRYXYPZJWWTGBE-ZZXKDPDVSA-N
XLogP4.90
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.54
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane?
The IUPAC name of (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane (CID 144615117) is (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane.
What is the SMILES notation for (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane?
The canonical SMILES for (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane is CC.CC(C)CC1CCC(c2onc([C@H]3CNCC3C(=O)O)c2C2CC2)C1.
What is the InChIKey of (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane?
The InChIKey is MRYXYPZJWWTGBE-ZZXKDPDVSA-N. The full InChI is InChI=1S/C20H30N2O3.C2H6/c1-11(2)7-12-3-4-14(8-12)19-17(13-5-6-13)18(22-25-19)15-9-21-10-16(15)20(23)24;1-2/h11-16,21H,3-10H2,1-2H3,(H,23,24);1-2H3/t12?,14?,15-,16?;/m0./s1.
What are the key properties of (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane?
(4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane has a molecular weight of 376.54 g/mol, XLogP of 4.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[4-cyclopropyl-5-[3-(2-methylpropyl)cyclopentyl]-1,2-oxazol-3-yl]pyrrolidine-3-carboxylic acid;ethane is sourced from PubChem (CID 144615117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).