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

C12H23NO4 — CID 44612915

IUPACtert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H23NO4/c1-8(9-7-15-12(5,6)16-9)13-10(14)17-11(2,3)4/h8-9H,7H2,1-6H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyQYLOHMMLBJJYII-DTWKUNHWSA-N
MW245.32 g/mol
LogP2.05
Rot. Bonds2

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

tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate (PubChem CID 44612915) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
PubChem CID44612915
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H23NO4/c1-8(9-7-15-12(5,6)16-9)13-10(14)17-11(2,3)4/h8-9H,7H2,1-6H3,(H,13,14)/t8-,9+/m0/s1
InChIKeyQYLOHMMLBJJYII-DTWKUNHWSA-N
XLogP2.05
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-Butyl ((1,3-dioxolan-2-yl)methyl)carbamate
CID 45091988
5-(Diethoxymethyl)-1,3-oxazolidin-2-one
CID 139022391
tert-butyl N-[(1S)-2-methyl-1-(5-methyl-2,7,8-trioxabicyclo[3.2.1]octan-1-yl)propyl]carbamate
CID 134920470
tert-butyl ((3S,4R)-4-hydroxytetrahydrofuran-3-yl)carbamate
CID 20792948
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-[(3S,4R)-4-trimethylsilyloxyoxolan-3-yl]carbamate
CID 134848783
tert-butyl N-[(2S)-1-(1,3-dioxolan-2-yl)propan-2-yl]carbamate
CID 134892775
tert-butyl N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl]carbamate
CID 134987252
tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-oxoethyl]carbamate
CID 134987511
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

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate (CID 44612915) is tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
The InChIKey is QYLOHMMLBJJYII-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H23NO4/c1-8(9-7-15-12(5,6)16-9)13-10(14)17-11(2,3)4/h8-9H,7H2,1-6H3,(H,13,14)/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate has a molecular weight of 245.32 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate is sourced from PubChem (CID 44612915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).