tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate

C16H29NO4 — CID 70269516

IUPACtert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate
SMILESCC[C@H](C)[C@H]1CO[C@@H](C(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-8-11(4)12-9-20-13(10(2)3)14(18)17(12)15(19)21-16(5,6)7/h10-13H,8-9H2,1-7H3/t11-,12+,13-/m0/s1
InChIKeyRKVYFMUFUFYLKB-XQQFMLRXSA-N
MW299.41 g/mol
LogP3.22
Rot. Bonds3

About tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate

tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate (PubChem CID 70269516) has the molecular formula C16H29NO4 and a molecular weight of 299.41 g/mol. Its IUPAC name is tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate
PubChem CID70269516
Molecular FormulaC16H29NO4
Molecular Weight299.41 g/mol
Exact Mass299.21
IUPAC Nametert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate
SMILESCC[C@H](C)[C@H]1CO[C@@H](C(C)C)C(=O)N1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO4/c1-8-11(4)12-9-20-13(10(2)3)14(18)17(12)15(19)21-16(5,6)7/h10-13H,8-9H2,1-7H3/t11-,12+,13-/m0/s1
InChIKeyRKVYFMUFUFYLKB-XQQFMLRXSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-benzyl-5-butan-2-yl-3-oxomorpholine-4-carboxylate
CID 67716572
tert-butyl (3S)-3-butan-2-yl-5-oxomorpholine-4-carboxylate
CID 15235156
tert-butyl 4-[(2R)-butan-2-yl]-2,2-dioxooxathiazolidine-3-carboxylate
CID 135074460
tert-butyl 2-propan-2-ylaziridine-1-carboxylate
CID 73192324
1-O-tert-butyl 2-O-methyl (2R,3S)-4-oxo-3-propan-2-ylazetidine-1,2-dicarboxylate
CID 10778512
tert-butyl (3R,5R)-3-hydroxy-5-methyl-2-oxopyrrolidine-1-carboxylate
CID 10976837
(2R,5S)-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
CID 162723825
(2S,5S)-3-methyl-4-[(2-methylpropan-2-yl)oxycarbonyl]-5-propan-2-ylmorpholine-2-carboxylic acid
CID 168864811
1-O-tert-butyl 3-O-methyl (5R)-5-ethyl-2-oxopyrrolidine-1,3-dicarboxylate
CID 170406657
tert-butyl (2S,3R)-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-(1-ethoxyethoxy)-4-oxoazetidine-1-carboxylate
CID 10044010
1-O-tert-butyl 2-O-methyl (2R,4R)-4-hydroxy-5-oxopyrrolidine-1,2-dicarboxylate
CID 10912226
tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate
CID 102085083

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate (CID 70269516) is tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate is CC[C@H](C)[C@H]1CO[C@@H](C(C)C)C(=O)N1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate?
The InChIKey is RKVYFMUFUFYLKB-XQQFMLRXSA-N. The full InChI is InChI=1S/C16H29NO4/c1-8-11(4)12-9-20-13(10(2)3)14(18)17(12)15(19)21-16(5,6)7/h10-13H,8-9H2,1-7H3/t11-,12+,13-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate?
tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate has a molecular weight of 299.41 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-5-[(2S)-butan-2-yl]-3-oxo-2-propan-2-ylmorpholine-4-carboxylate is sourced from PubChem (CID 70269516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).