[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate

C12H23NO4 — CID 90809223

IUPAC[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate
SMILESC[C@@H](OC(=O)NC(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H23NO4/c1-8(9-7-15-12(5,6)17-9)16-10(14)13-11(2,3)4/h8-9H,7H2,1-6H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyAOJGNVGDUOAPBI-RKDXNWHRSA-N
MW245.32 g/mol
LogP2.05
Rot. Bonds2

About [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate

[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate (PubChem CID 90809223) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate
PubChem CID90809223
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Name[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate
SMILESC[C@@H](OC(=O)NC(C)(C)C)[C@H]1COC(C)(C)O1
InChIInChI=1S/C12H23NO4/c1-8(9-7-15-12(5,6)17-9)16-10(14)13-11(2,3)4/h8-9H,7H2,1-6H3,(H,13,14)/t8-,9-/m1/s1
InChIKeyAOJGNVGDUOAPBI-RKDXNWHRSA-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

oxolan-3-yl N-tert-butylcarbamate
CID 20765341
[(3S)-oxolan-3-yl] N-tert-butylcarbamate
CID 59990336
2-(1,3-dimethoxypropan-2-yloxy)ethyl N-tert-butylcarbamate
CID 90750625
2-(2,3-dimethoxypropoxy)ethyl N-tert-butylcarbamate
CID 90844150
2-(2-methoxyethoxy)propyl N-tert-butylcarbamate
CID 91456424
2-(2-methoxypropoxy)ethyl N-tert-butylcarbamate
CID 91526311
[(2S)-2,3-dimethoxypropyl] N-tert-butylcarbamate
CID 91584452
[(2R)-2,3-dimethoxypropyl] N-tert-butylcarbamate
CID 91594264
[(3R)-oxolan-3-yl] N-(2-methylbutan-2-yl)carbamate
CID 170075886
oxolan-3-yl N-(2-methylbutan-2-yl)carbamate
CID 176397172

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate?
The IUPAC name of [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate (CID 90809223) is [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate is C[C@@H](OC(=O)NC(C)(C)C)[C@H]1COC(C)(C)O1.
What is the InChIKey of [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate?
The InChIKey is AOJGNVGDUOAPBI-RKDXNWHRSA-N. The full InChI is InChI=1S/C12H23NO4/c1-8(9-7-15-12(5,6)17-9)16-10(14)13-11(2,3)4/h8-9H,7H2,1-6H3,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate?
[(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate 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 [(1R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl] N-tert-butylcarbamate is sourced from PubChem (CID 90809223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).