tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate

C9H15NO4 — CID 688318

IUPACtert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-5-13-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1
InChIKeyIMWMFJMYEKHYKG-LURJTMIESA-N
MW201.22 g/mol
LogP0.83
Rot. Bonds1

About tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate

tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate (PubChem CID 688318) has the molecular formula C9H15NO4 and a molecular weight of 201.22 g/mol. Its IUPAC name is tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
PubChem CID688318
Molecular FormulaC9H15NO4
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Nametert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCOC1=O
InChIInChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-5-13-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1
InChIKeyIMWMFJMYEKHYKG-LURJTMIESA-N
XLogP0.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-2,2,3-trimethyl-N-(2-oxooxolan-3-yl)butanamide
CID 142101132
tert-butyl N-(6-tert-butyl-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 58215859
tert-butyl N-[(4R)-6-hydroxy-3,4-dihydro-2H-chromen-4-yl]carbamate
CID 164592811
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
tert-butyl N-(6-iodo-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 70330503
tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
CID 45092234
2-methyl-N-(2-oxooxolan-3-yl)propanamide
CID 23020667
tert-butyl N-[(3R)-2-oxopyrrolidin-3-yl]carbamate
CID 10774403
tert-butyl N-[(3R,4S,7S)-4-methyl-3-(3-methylbutyl)-6-oxo-1,5-dioxonan-7-yl]carbamate
CID 118652328
methyl (4S,7S,9aS)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-3,4,7,8,9,9a-hexahydro-2H-pyrrolo[2,1-b][1,3]oxazepine-7-carboxylate
CID 15296200
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[(6S)-6-methyl-2-oxopiperidin-3-yl]carbamate
CID 155351163

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate (CID 688318) is tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCOC1=O.
What is the InChIKey of tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate?
The InChIKey is IMWMFJMYEKHYKG-LURJTMIESA-N. The full InChI is InChI=1S/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-5-13-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate?
tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate has a molecular weight of 201.22 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-2-oxooxolan-3-yl]carbamate is sourced from PubChem (CID 688318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).