tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

C19H33NO5 — CID 10832056

IUPACtert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C19H33NO5/c1-10-11-14-13(12-23-15(21)17(2,3)4)20(19(8,9)24-14)16(22)25-18(5,6)7/h10,13-14H,1,11-12H2,2-9H3/t13-,14+/m0/s1
InChIKeyWDMQFTKHVVYXHP-UONOGXRCSA-N
MW355.48 g/mol
LogP3.89
Rot. Bonds4

About tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (PubChem CID 10832056) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
PubChem CID10832056
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Nametert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate
SMILESC=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1COC(=O)C(C)(C)C
InChIInChI=1S/C19H33NO5/c1-10-11-14-13(12-23-15(21)17(2,3)4)20(19(8,9)24-14)16(22)25-18(5,6)7/h10,13-14H,1,11-12H2,2-9H3/t13-,14+/m0/s1
InChIKeyWDMQFTKHVVYXHP-UONOGXRCSA-N
XLogP3.89
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

tert-butyl (4S)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10107242
methyl (2S,4R)-4-(2,2-dimethylpropanoyloxy)-2-prop-2-enylpyrrolidine-1-carboxylate
CID 15516707
tert-butyl (4S)-4-[(1R)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10468424
tert-butyl (4R)-4-[(1S)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11119194
tert-butyl (4S)-4-(1-hydroxybut-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15213827
tert-butyl (4R)-4-[(1R)-1-hydroxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11807798
tert-butyl (4S)-4-[(1R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 54598004
tert-butyl (4S)-4-[(1S)-1-[tert-butyl(dimethyl)silyl]oxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 134835359
[(3R,5S)-1-acetyl-5-prop-2-enylpyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 164683830
methyl (2R,4R)-4-(2,2-dimethylpropanoyloxy)-2-prop-2-enylpyrrolidine-1-carboxylate
CID 15516708
tert-butyl (4S)-4-[(1R)-1-methoxybut-3-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10085341
tert-butyl (4R)-4-(1-hydroxybut-3-enyl)-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10683527

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate (CID 10832056) is tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is C=CC[C@H]1OC(C)(C)N(C(=O)OC(C)(C)C)[C@H]1COC(=O)C(C)(C)C.
What is the InChIKey of tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
The InChIKey is WDMQFTKHVVYXHP-UONOGXRCSA-N. The full InChI is InChI=1S/C19H33NO5/c1-10-11-14-13(12-23-15(21)17(2,3)4)20(19(8,9)24-14)16(22)25-18(5,6)7/h10,13-14H,1,11-12H2,2-9H3/t13-,14+/m0/s1.
What are the key properties of tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate has a molecular weight of 355.48 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5R)-4-(2,2-dimethylpropanoyloxymethyl)-2,2-dimethyl-5-prop-2-enyl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 10832056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).