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

C27H29NO3 — CID 11384471

IUPAC(3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H29NO3/c29-26(24-16-17-31-27(24)30)25(18-21-10-4-1-5-11-21)28(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,24-26,29H,16-20H2/t24-,25+,26+/m1/s1
InChIKeyHQVNRUCZIFXSTD-ZNZIZOMTSA-N
MW415.53 g/mol
LogP4.22
Rot. Bonds9

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

(3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one (PubChem CID 11384471) has the molecular formula C27H29NO3 and a molecular weight of 415.53 g/mol. Its IUPAC name is (3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one.

Molecular Properties

Compound Name(3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one
PubChem CID11384471
Molecular FormulaC27H29NO3
Molecular Weight415.53 g/mol
Exact Mass415.21
IUPAC Name(3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one
SMILESO=C1OCC[C@@H]1[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C27H29NO3/c29-26(24-16-17-31-27(24)30)25(18-21-10-4-1-5-11-21)28(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,24-26,29H,16-20H2/t24-,25+,26+/m1/s1
InChIKeyHQVNRUCZIFXSTD-ZNZIZOMTSA-N
XLogP4.22
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-1-chloro-3-(dibenzylamino)-4-phenylbutan-2-ol;hydrochloride
CID 69339752
(2R,3S)-3-(dibenzylamino)-4-phenylbutane-1,2-diol
CID 11142964
(2R,3R)-2-(dibenzylamino)-1-phenylpentan-3-ol
CID 58894379
(2S,3R,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
CID 15315874
N-benzyl-N-[(3S)-2-oxooxolan-3-yl]carbamate
CID 57349236
(2S,3S,4R)-2-(dibenzylamino)-4-diphenylphosphoryl-1-phenylpentan-3-ol
CID 15315873
benzyl 2-[(2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]-4-methyl-3-oxopiperazine-1-carboxylate
CID 69017313
(2S)-2-[(2-oxooxolan-3-yl)amino]-3-phenylpropanoic acid
CID 18635454
2-(2-oxooxolan-3-yl)sulfanyl-3-phenylpropanoic acid
CID 54919408
(5S)-5-amino-2-(dibenzylamino)-1,6-diphenylhexan-3-ol
CID 70292967
[3-(dibenzylamino)-2-hydroxy-4-phenylbutyl] acetate
CID 53395265
(2R,3S)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-phenylbutan-2-ol
CID 11190239

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one?
The IUPAC name of (3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one (CID 11384471) is (3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one.
What is the SMILES notation for (3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one?
The canonical SMILES for (3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one is O=C1OCC[C@@H]1[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one?
The InChIKey is HQVNRUCZIFXSTD-ZNZIZOMTSA-N. The full InChI is InChI=1S/C27H29NO3/c29-26(24-16-17-31-27(24)30)25(18-21-10-4-1-5-11-21)28(19-22-12-6-2-7-13-22)20-23-14-8-3-9-15-23/h1-15,24-26,29H,16-20H2/t24-,25+,26+/m1/s1.
What are the key properties of (3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one?
(3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one has a molecular weight of 415.53 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(1S,2S)-2-(dibenzylamino)-1-hydroxy-3-phenylpropyl]oxolan-2-one is sourced from PubChem (CID 11384471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).