tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate

C12H19NO4 — CID 11806785

IUPACtert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate
SMILESC=CC[C@H]1OC(=O)N[C@@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO4/c1-5-6-9-8(13-11(15)16-9)7-10(14)17-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)/t8-,9-/m1/s1
InChIKeyQOCSFYNSOIKRMD-RKDXNWHRSA-N
MW241.29 g/mol
LogP1.77
Rot. Bonds4

About tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate

tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate (PubChem CID 11806785) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate
PubChem CID11806785
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Nametert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate
SMILESC=CC[C@H]1OC(=O)N[C@@H]1CC(=O)OC(C)(C)C
InChIInChI=1S/C12H19NO4/c1-5-6-9-8(13-11(15)16-9)7-10(14)17-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)/t8-,9-/m1/s1
InChIKeyQOCSFYNSOIKRMD-RKDXNWHRSA-N
XLogP1.77
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[(4R,5R)-5-ethenyl-2-oxo-1,3-oxazolidin-4-yl]acetate
CID 134966293
tert-butyl N-[(2S,3R,4R)-2-ethenyl-5-oxo-4-prop-2-enyloxolan-3-yl]carbamate
CID 162414298
2-((4R,5R)-5-((R)-But-3-en-2-yl)-2-oxooxazolidin-4-yl)acetic acid
CID 102314450
2-[(4R,5R)-5-but-3-en-2-yl-2-oxo-1,3-oxazolidin-4-yl]acetic acid
CID 118432389
[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] hept-6-enoate
CID 170693414
[(1R)-1-[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxooxolan-2-yl]prop-2-enyl] acetate
CID 10902620
tert-butyl N-[(2R,3R)-5-oxo-2-prop-2-enyloxolan-3-yl]carbamate
CID 11746776
Ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 42637375
ethyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]hept-6-enoate
CID 42637580
tert-butyl N-(5-oxo-2-prop-2-enyloxolan-3-yl)carbamate
CID 73083578
ethyl (2R)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]pent-4-enoate
CID 101996701
ethyl (2S)-2-[(4S)-2-oxo-1,3-oxazolidin-4-yl]pent-4-enoate
CID 101996702

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate (CID 11806785) is tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate is C=CC[C@H]1OC(=O)N[C@@H]1CC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate?
The InChIKey is QOCSFYNSOIKRMD-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H19NO4/c1-5-6-9-8(13-11(15)16-9)7-10(14)17-12(2,3)4/h5,8-9H,1,6-7H2,2-4H3,(H,13,15)/t8-,9-/m1/s1.
What are the key properties of tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate?
tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate has a molecular weight of 241.29 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R,5R)-2-oxo-5-prop-2-enyl-1,3-oxazolidin-4-yl]acetate is sourced from PubChem (CID 11806785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).