tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate

C13H23NO4 — CID 165467477

IUPACtert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate
SMILESCC(C)C(=O)C1OCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-8(2)10(15)11-9(6-7-17-11)14-12(16)18-13(3,4)5/h8-9,11H,6-7H2,1-5H3,(H,14,16)
InChIKeyRQHRUSYFQMNXLC-UHFFFAOYSA-N
MW257.33 g/mol
LogP1.89
Rot. Bonds3

About tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate

tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate (PubChem CID 165467477) has the molecular formula C13H23NO4 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate
PubChem CID165467477
Molecular FormulaC13H23NO4
Molecular Weight257.33 g/mol
Exact Mass257.16
IUPAC Nametert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate
SMILESCC(C)C(=O)C1OCCC1NC(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO4/c1-8(2)10(15)11-9(6-7-17-11)14-12(16)18-13(3,4)5/h8-9,11H,6-7H2,1-5H3,(H,14,16)
InChIKeyRQHRUSYFQMNXLC-UHFFFAOYSA-N
XLogP1.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-2-carboxylic acid
CID 175446818
(2R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carboxylic acid
CID 178113941
tert-butyl N-[4-(2-methylpropanoyl)cyclohexyl]carbamate
CID 58100268
methyl (2S,3S)-3-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]oxane-2-carboxylate
CID 56654297
tert-butyl N-[(1S,2R)-2-(propan-2-ylamino)cyclohexyl]carbamate
CID 96555526
tert-butyl N-[(4S,4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyran-4-yl]carbamate
CID 160939669
methyl (2S,3S)-3-[[(2R)-2-[[(2S,3S)-3-[[(2R)-2-[[(2S,3S)-3-[[(2R)-2-[[(2S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxane-2-carbonyl]amino]propanoyl]amino]oxane-2-carbonyl]amino]propanoyl]amino]oxane-2-carbonyl]amino]propanoyl]amino]oxane-2-carboxylate
CID 56653610
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-(2-methyloxan-4-yl)carbamate
CID 103887643
tert-butyl N-[(1R,2S)-2-methylcyclopentyl]carbamate
CID 162343214
tert-butyl N-[(1R)-2-aminocyclobutyl]carbamate
CID 174298554
tert-butyl N-(4-amino-1-propan-2-ylpiperidin-3-yl)carbamate
CID 134435069

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate (CID 165467477) is tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate is CC(C)C(=O)C1OCCC1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate?
The InChIKey is RQHRUSYFQMNXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO4/c1-8(2)10(15)11-9(6-7-17-11)14-12(16)18-13(3,4)5/h8-9,11H,6-7H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate?
tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate has a molecular weight of 257.33 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-methylpropanoyl)oxolan-3-yl]carbamate is sourced from PubChem (CID 165467477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).