(2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide

C21H27N3O4 — CID 138037914

IUPAC(2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide
SMILESC[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NC1CCN(C2CCC2)C1=O
InChIInChI=1S/C21H27N3O4/c1-14-19(24(18(25)13-28-14)12-15-6-3-2-4-7-15)20(26)22-17-10-11-23(21(17)27)16-8-5-9-16/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3,(H,22,26)/t14-,17?,19+/m1/s1
InChIKeyJVOWKHWHGJENEB-UKFYSOHNSA-N
MW385.46 g/mol
LogP1.07
Rot. Bonds5

About (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide

(2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide (PubChem CID 138037914) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide
PubChem CID138037914
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name(2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide
SMILESC[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NC1CCN(C2CCC2)C1=O
InChIInChI=1S/C21H27N3O4/c1-14-19(24(18(25)13-28-14)12-15-6-3-2-4-7-15)20(26)22-17-10-11-23(21(17)27)16-8-5-9-16/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3,(H,22,26)/t14-,17?,19+/m1/s1
InChIKeyJVOWKHWHGJENEB-UKFYSOHNSA-N
XLogP1.07
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide (CID 138037914) is (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide is C[C@H]1OCC(=O)N(Cc2ccccc2)[C@@H]1C(=O)NC1CCN(C2CCC2)C1=O.
What is the InChIKey of (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide?
The InChIKey is JVOWKHWHGJENEB-UKFYSOHNSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-14-19(24(18(25)13-28-14)12-15-6-3-2-4-7-15)20(26)22-17-10-11-23(21(17)27)16-8-5-9-16/h2-4,6-7,14,16-17,19H,5,8-13H2,1H3,(H,22,26)/t14-,17?,19+/m1/s1.
What are the key properties of (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide?
(2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 1.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-4-benzyl-N-(1-cyclobutyl-2-oxopyrrolidin-3-yl)-2-methyl-5-oxomorpholine-3-carboxamide is sourced from PubChem (CID 138037914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).