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

C10H19NO4 — CID 11769962

IUPACethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
SMILES[2H][C@@H]([C@@H]([2H])NC(=O)OCC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H19NO4/c1-4-13-9(12)11-6-5-8-7-14-10(2,3)15-8/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1/i5D,6D/t5-,6+,8-
InChIKeyAITLVZRKKWQYFP-LZCPDHOLSA-N
MW219.28 g/mol
LogP1.27
Rot. Bonds4

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

ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate (PubChem CID 11769962) has the molecular formula C10H19NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
PubChem CID11769962
Molecular FormulaC10H19NO4
Molecular Weight219.28 g/mol
Exact Mass219.14
IUPAC Nameethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate
SMILES[2H][C@@H]([C@@H]([2H])NC(=O)OCC)[C@H]1COC(C)(C)O1
InChIInChI=1S/C10H19NO4/c1-4-13-9(12)11-6-5-8-7-14-10(2,3)15-8/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1/i5D,6D/t5-,6+,8-
InChIKeyAITLVZRKKWQYFP-LZCPDHOLSA-N
XLogP1.27
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
The IUPAC name of ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate (CID 11769962) is ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate.
What is the SMILES notation for ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
The canonical SMILES for ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate is [2H][C@@H]([C@@H]([2H])NC(=O)OCC)[C@H]1COC(C)(C)O1.
What is the InChIKey of ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
The InChIKey is AITLVZRKKWQYFP-LZCPDHOLSA-N. The full InChI is InChI=1S/C10H19NO4/c1-4-13-9(12)11-6-5-8-7-14-10(2,3)15-8/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m0/s1/i5D,6D/t5-,6+,8-.
What are the key properties of ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate?
ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate has a molecular weight of 219.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(1R,2S)-1,2-dideuterio-2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethyl]carbamate is sourced from PubChem (CID 11769962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).