(3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one

C23H27NO4 — CID 11025339

IUPAC(3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESCC1(C)OC[C@H]([C@H]2C[C@@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)O2)O1
InChIInChI=1S/C23H27NO4/c1-23(2)26-16-21(28-23)20-13-19(22(25)27-20)24(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3/t19-,20-,21-/m1/s1
InChIKeyLEOBENOJIRMTNQ-NJDAHSKKSA-N
MW381.47 g/mol
LogP3.52
Rot. Bonds6

About (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one

(3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one (PubChem CID 11025339) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one.

Molecular Properties

Compound Name(3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
PubChem CID11025339
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name(3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
SMILESCC1(C)OC[C@H]([C@H]2C[C@@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)O2)O1
InChIInChI=1S/C23H27NO4/c1-23(2)26-16-21(28-23)20-13-19(22(25)27-20)24(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3/t19-,20-,21-/m1/s1
InChIKeyLEOBENOJIRMTNQ-NJDAHSKKSA-N
XLogP3.52
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one with MolForge

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Launch Full Analysis

Related Compounds

benzyl-[(2S,3S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxoazetidin-3-yl]carbamic acid
CID 56986144
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyoxolan-2-one
CID 71204937
2-benzyl-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-4-methyl-1,2-oxazolidin-5-one
CID 85300293
(3R,4R)-1-benzyl-4-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxyazetidin-2-one
CID 10912813
N-benzyl-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-N-oxidomethanamine
CID 100917658
(2R)-N,N-dibenzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methylpropan-1-amine
CID 155444946
[(3R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxooxolan-3-yl] methanesulfonate
CID 22845692
(4S)-4-benzyl-2,2-dimethyl-1,3-dioxolane
CID 14271784
(2R)-1-benzyl-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,3-dihydropyridin-4-one
CID 100967043
(4S,5S)-N-benzyl-2,2-dimethyl-N-(3-methylbut-2-enyl)-4-phenyl-1,3-dioxan-5-amine
CID 11210772
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine;N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]hydroxylamine
CID 158740131
benzyl 3,3-dimethyl-2,4-dioxabicyclo[4.2.0]octane-7-carboxylate
CID 170055279

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The IUPAC name of (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one (CID 11025339) is (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one.
What is the SMILES notation for (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The canonical SMILES for (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one is CC1(C)OC[C@H]([C@H]2C[C@@H](N(Cc3ccccc3)Cc3ccccc3)C(=O)O2)O1.
What is the InChIKey of (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
The InChIKey is LEOBENOJIRMTNQ-NJDAHSKKSA-N. The full InChI is InChI=1S/C23H27NO4/c1-23(2)26-16-21(28-23)20-13-19(22(25)27-20)24(14-17-9-5-3-6-10-17)15-18-11-7-4-8-12-18/h3-12,19-21H,13-16H2,1-2H3/t19-,20-,21-/m1/s1.
What are the key properties of (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one?
(3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one has a molecular weight of 381.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-3-(dibenzylamino)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one is sourced from PubChem (CID 11025339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).