tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate

C12H23NO3 — CID 90885725

IUPACtert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C1CCCO1
InChIInChI=1S/C12H23NO3/c1-5-9(10-7-6-8-15-10)13-11(14)16-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyQCXHPMLSLOPEBB-UHFFFAOYSA-N
MW229.32 g/mol
LogP2.47
Rot. Bonds3

About tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate

tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate (PubChem CID 90885725) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
PubChem CID90885725
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nametert-butyl N-[1-(oxolan-2-yl)propyl]carbamate
SMILESCCC(NC(=O)OC(C)(C)C)C1CCCO1
InChIInChI=1S/C12H23NO3/c1-5-9(10-7-6-8-15-10)13-11(14)16-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyQCXHPMLSLOPEBB-UHFFFAOYSA-N
XLogP2.47
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-hydroxy-2,2-dimethylpentyl)-3-[1-(oxolan-2-yl)propyl]urea
CID 109491442
tert-butyl N-[2-cyclohexyl-1-[(2S)-oxiran-2-yl]ethyl]carbamate
CID 143558141
2-[1-(oxolan-2-yl)propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 120696096
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2R)-oxolan-2-yl]propanoic acid
CID 155819333
1-[(3S)-hex-5-en-3-yl]-3-[(1S)-1-[(2S)-oxolan-2-yl]propyl]urea
CID 129433389
tert-butyl N-[(1S)-1-cyclopentyl-2-hydroxyethyl]carbamate
CID 91195138
tert-butyl N-[(2R)-1-cyclohexylbutan-2-yl]carbamate
CID 70327629
N-methyl-3-[1-(oxolan-2-yl)propylamino]butanamide
CID 115896542
(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(oxan-4-yl)propanoic acid
CID 34178705
tert-butyl N-[(3R)-1-[[(1S)-1-[(2R)-oxolan-2-yl]ethyl]carbamoyl]piperidin-3-yl]carbamate
CID 124831975
tert-butyl N-[8-(2-ethylbutylamino)-2-oxabicyclo[4.2.0]octan-7-yl]carbamate
CID 107255699
tert-butyl N-[(2R,4R)-4-[2-[(2R)-oxolan-2-yl]ethylamino]pentan-2-yl]carbamate
CID 124856782

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate?
The IUPAC name of tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate (CID 90885725) is tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate?
The canonical SMILES for tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate is CCC(NC(=O)OC(C)(C)C)C1CCCO1.
What is the InChIKey of tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate?
The InChIKey is QCXHPMLSLOPEBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-5-9(10-7-6-8-15-10)13-11(14)16-12(2,3)4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate?
tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate has a molecular weight of 229.32 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(oxolan-2-yl)propyl]carbamate is sourced from PubChem (CID 90885725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).