tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate

C13H25NO4 — CID 11021591

IUPACtert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C13H25NO4/c1-7-9(10-8-16-13(5,6)17-10)14-11(15)18-12(2,3)4/h9-10H,7-8H2,1-6H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyOKSWMLXVQYRUOP-ZJUUUORDSA-N
MW259.35 g/mol
LogP2.44
Rot. Bonds3

About tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate

tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate (PubChem CID 11021591) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate
PubChem CID11021591
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Nametert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate
SMILESCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C13H25NO4/c1-7-9(10-8-16-13(5,6)17-10)14-11(15)18-12(2,3)4/h9-10H,7-8H2,1-6H3,(H,14,15)/t9-,10+/m1/s1
InChIKeyOKSWMLXVQYRUOP-ZJUUUORDSA-N
XLogP2.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate with MolForge

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Related Compounds

Methyl (1,4-dioxaspiro[4.5]decan-2-ylmethyl)carba
CID 45519488
tert-butyl N-[2-[1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethylamino]ethyl]-N-methylcarbamate
CID 132388526
tert-butyl N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]carbamate
CID 18471710
tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
CID 44612915
tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]carbamate
CID 52916322
tert-butyl N-[(2S)-1-(1,3-dioxolan-2-yl)propan-2-yl]carbamate
CID 134892775
tert-butyl N-[(1R,2S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,3,3-trifluoro-2-methylpropyl]carbamate
CID 11638445
tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4,4-trifluorobutyl]carbamate
CID 23729625
tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4,4,4-trifluorobutyl]carbamate
CID 23729626
tert-Butyl (tetrahydrofuran-3-yl)carbamate
CID 45091846
(R)-tert-Butyl (tetrahydrofuran-3-yl)carbamate
CID 55264469
2-(2-methoxyethoxy)ethyl [(5S)-2-oxo-1,3-oxazolidin-5-yl]methyl carbonate
CID 57557880

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate (CID 11021591) is tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate is CC[C@@H](NC(=O)OC(C)(C)C)[C@@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate?
The InChIKey is OKSWMLXVQYRUOP-ZJUUUORDSA-N. The full InChI is InChI=1S/C13H25NO4/c1-7-9(10-8-16-13(5,6)17-10)14-11(15)18-12(2,3)4/h9-10H,7-8H2,1-6H3,(H,14,15)/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate?
tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate has a molecular weight of 259.35 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]propyl]carbamate is sourced from PubChem (CID 11021591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).