tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate

C14H23NO6 — CID 142751695

IUPACtert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO6/c1-13(2,3)20-10(16)7-9-11(17)19-8-15(9)12(18)21-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyIVNHMVUEZGJNDT-VIFPVBQESA-N
MW301.34 g/mol
LogP1.84
Rot. Bonds2

About tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 142751695) has the molecular formula C14H23NO6 and a molecular weight of 301.34 g/mol. Its IUPAC name is tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID142751695
Molecular FormulaC14H23NO6
Molecular Weight301.34 g/mol
Exact Mass301.15
IUPAC Nametert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)C[C@H]1C(=O)OCN1C(=O)OC(C)(C)C
InChIInChI=1S/C14H23NO6/c1-13(2,3)20-10(16)7-9-11(17)19-8-15(9)12(18)21-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1
InChIKeyIVNHMVUEZGJNDT-VIFPVBQESA-N
XLogP1.84
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

1,2-dichloroethane;ethane;3-[3-[(2-methylpropan-2-yl)oxycarbonyl]-5-oxo-1,3-oxazolidin-4-yl]propanoic acid
CID 91030917
tert-butyl (4S)-4-[3-(4-hydroxyphenyl)-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 155709982
tert-butyl 5-oxo-4-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazolidine-3-carboxylate
CID 175668395
tert-butyl (4R)-6-oxo-4-propan-2-yl-1,3-oxazinane-3-carboxylate
CID 102085083
tert-butyl (4S)-5-oxo-4-[3-oxo-3-(4-phenylmethoxybenzoyl)oxypropyl]-1,3-oxazolidine-3-carboxylate
CID 167097686
tert-butyl 2-(2-methoxy-2-oxoethyl)-3-oxopiperazine-1-carboxylate
CID 2986153
tert-butyl 2-formyl-4-oxopyrrolidine-1-carboxylate
CID 130250817
tert-butyl 3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]-2-oxomorpholine-4-carboxylate;ethane
CID 154673173
tert-butyl (4S)-4-[3-[4-[(2-fluorophenyl)methoxy]phenyl]-3-oxopropyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 155709971
methyl (4S)-4-[[2-(tert-butylamino)-2-oxoethoxy]methyl]-5-oxo-1,3-oxazolidine-3-carboxylate
CID 175539522
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxopyrrolidin-2-yl]acetic acid
CID 82386519
tert-butyl (3S)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
CID 67334474

Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate (CID 142751695) is tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)C[C@H]1C(=O)OCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is IVNHMVUEZGJNDT-VIFPVBQESA-N. The full InChI is InChI=1S/C14H23NO6/c1-13(2,3)20-10(16)7-9-11(17)19-8-15(9)12(18)21-14(4,5)6/h9H,7-8H2,1-6H3/t9-/m0/s1.
What are the key properties of tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 301.34 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 142751695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).