(3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one

C21H25NO3 — CID 11221468

IUPAC(3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one
SMILESC[C@@H]([C@H](O)[C@H]1CCOC1=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H25NO3/c1-16(20(23)19-12-13-25-21(19)24)22(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16,19-20,23H,12-15H2,1H3/t16-,19+,20-/m0/s1
InChIKeyNHPDXDLVIMCMPX-DBVUQKKJSA-N
MW339.43 g/mol
LogP3.00
Rot. Bonds7

About (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one

(3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one (PubChem CID 11221468) has the molecular formula C21H25NO3 and a molecular weight of 339.43 g/mol. Its IUPAC name is (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one
PubChem CID11221468
Molecular FormulaC21H25NO3
Molecular Weight339.43 g/mol
Exact Mass339.18
IUPAC Name(3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one
SMILESC[C@@H]([C@H](O)[C@H]1CCOC1=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C21H25NO3/c1-16(20(23)19-12-13-25-21(19)24)22(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16,19-20,23H,12-15H2,1H3/t16-,19+,20-/m0/s1
InChIKeyNHPDXDLVIMCMPX-DBVUQKKJSA-N
XLogP3.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one with MolForge

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Related Compounds

alpha-(1-Benzyl-4-hydroxy-4-piperidyl)-gamma-butyrolactone
CID 3669269
methyl (3R,4S)-4-(dibenzylamino)-3-hydroxypentanoate
CID 13949676
(2S,4R)-1-Benzyl-4-hydroxy-pyrrolidine-2-carboxylic acid ethyl ester
CID 23248557
ethyl (3R,4R)-4-(dibenzylamino)-2,2-difluoro-3-hydroxyhexanoate
CID 118446199
Ethyl 2-(dibenzylamino)-3-hydroxybutanoate
CID 14824485
(3S,4S)-tert-Butyl 4-dibenzylamino-3-hydroxy-5-phenylpentanoate
CID 10599465
(3S,5S)-5-[(1S)-1-(dibenzylamino)-2-methylpropyl]-3-methyloxolan-2-one
CID 10970195
(3S)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one
CID 11154243
(3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-4-methylpentyl]oxolan-2-one
CID 11280484
(3S)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxy-4-methylpentyl]oxolan-2-one
CID 11372457
(3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one
CID 11384471
(3R)-3-[(1R,2S)-1-[tert-butyl(dimethyl)silyl]oxy-2-(dibenzylamino)-4-methylpentyl]oxolan-2-one
CID 11785238

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one (CID 11221468) is (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one is C[C@@H]([C@H](O)[C@H]1CCOC1=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one?
The InChIKey is NHPDXDLVIMCMPX-DBVUQKKJSA-N. The full InChI is InChI=1S/C21H25NO3/c1-16(20(23)19-12-13-25-21(19)24)22(14-17-8-4-2-5-9-17)15-18-10-6-3-7-11-18/h2-11,16,19-20,23H,12-15H2,1H3/t16-,19+,20-/m0/s1.
What are the key properties of (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one?
(3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one has a molecular weight of 339.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1R,2S)-2-(dibenzylamino)-1-hydroxypropyl]oxolan-2-one is sourced from PubChem (CID 11221468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).