(2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide

C16H21N3O3 — CID 154768487

IUPAC(2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide
SMILESNC(=O)[C@@H]1CC[C@H](C(=O)NC2COC2)N1Cc1ccccc1
InChIInChI=1S/C16H21N3O3/c17-15(20)13-6-7-14(16(21)18-12-9-22-10-12)19(13)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H2,17,20)(H,18,21)/t13-,14+/m0/s1
InChIKeyROUMCVWSODHUEW-UONOGXRCSA-N
MW303.36 g/mol
LogP0.02
Rot. Bonds5

About (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide

(2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide (PubChem CID 154768487) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide.

Molecular Properties

Compound Name(2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide
PubChem CID154768487
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name(2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide
SMILESNC(=O)[C@@H]1CC[C@H](C(=O)NC2COC2)N1Cc1ccccc1
InChIInChI=1S/C16H21N3O3/c17-15(20)13-6-7-14(16(21)18-12-9-22-10-12)19(13)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H2,17,20)(H,18,21)/t13-,14+/m0/s1
InChIKeyROUMCVWSODHUEW-UONOGXRCSA-N
XLogP0.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide?
The IUPAC name of (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide (CID 154768487) is (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide.
What is the SMILES notation for (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide?
The canonical SMILES for (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide is NC(=O)[C@@H]1CC[C@H](C(=O)NC2COC2)N1Cc1ccccc1.
What is the InChIKey of (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide?
The InChIKey is ROUMCVWSODHUEW-UONOGXRCSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-15(20)13-6-7-14(16(21)18-12-9-22-10-12)19(13)8-11-4-2-1-3-5-11/h1-5,12-14H,6-10H2,(H2,17,20)(H,18,21)/t13-,14+/m0/s1.
What are the key properties of (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide?
(2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-1-benzyl-2-N-(oxetan-3-yl)pyrrolidine-2,5-dicarboxamide is sourced from PubChem (CID 154768487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).