tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate

C10H17NO3 — CID 100948093

IUPACtert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate
SMILESC=C[C@@H]1O[C@@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-5-7-8(13-7)6-11-9(12)14-10(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyTXDUCSVDYDWUOQ-JGVFFNPUSA-N
MW199.25 g/mol
LogP1.46
Rot. Bonds3

About tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate

tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate (PubChem CID 100948093) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate
PubChem CID100948093
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate
SMILESC=C[C@@H]1O[C@@H]1CNC(=O)OC(C)(C)C
InChIInChI=1S/C10H17NO3/c1-5-7-8(13-7)6-11-9(12)14-10(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)/t7-,8+/m0/s1
InChIKeyTXDUCSVDYDWUOQ-JGVFFNPUSA-N
XLogP1.46
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 130763729
tert-butyl N-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]methyl]carbamate
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tert-butyl N-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]carbamate
CID 21029270
[(2R,3S,4S,5R)-4,5-diacetyloxy-6-fluoro-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]oxan-3-yl] acetate
CID 102386458
tert-butyl N-(cyclobutylmethyl)carbamate
CID 23087339
tert-butyl N-[[4-(methylamino)cyclohexyl]methyl]carbamate
CID 58962901
[(3aR,4R,6R,6aR)-2,2-dimethyl-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl] 2,2-dimethylpropanoate
CID 10499596
tert-butyl N-(aziridin-2-ylmethyl)carbamate
CID 87499538
tert-butyl N-[[(1R,2R)-2-fluorocyclopropyl]methyl]carbamate
CID 178194635
tert-butyl N-[[(3R,4R)-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]pyrrolidin-3-yl]methyl]carbamate
CID 54508175
tert-butyl N-(2-oxohex-5-enyl)carbamate
CID 178201050
tert-butyl N-[[(1S,2R)-2-(prop-2-enoylamino)cyclobutyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate (CID 100948093) is tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate is C=C[C@@H]1O[C@@H]1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate?
The InChIKey is TXDUCSVDYDWUOQ-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17NO3/c1-5-7-8(13-7)6-11-9(12)14-10(2,3)4/h5,7-8H,1,6H2,2-4H3,(H,11,12)/t7-,8+/m0/s1.
What are the key properties of tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate?
tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[(2R,3S)-3-ethenyloxiran-2-yl]methyl]carbamate is sourced from PubChem (CID 100948093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).