ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate

C11H21NO3 — CID 126729772

IUPACethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)[C@H]1CCO[C@@H](CC)C1
InChIInChI=1S/C11H21NO3/c1-4-10-8-9(6-7-15-10)12(3)11(13)14-5-2/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyGYPMHQTUMQIHDK-UWVGGRQHSA-N
MW215.29 g/mol
LogP2.03
Rot. Bonds3

About ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate

ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate (PubChem CID 126729772) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate
PubChem CID126729772
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Nameethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate
SMILESCCOC(=O)N(C)[C@H]1CCO[C@@H](CC)C1
InChIInChI=1S/C11H21NO3/c1-4-10-8-9(6-7-15-10)12(3)11(13)14-5-2/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyGYPMHQTUMQIHDK-UWVGGRQHSA-N
XLogP2.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate?
The IUPAC name of ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate (CID 126729772) is ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate.
What is the SMILES notation for ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate?
The canonical SMILES for ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate is CCOC(=O)N(C)[C@H]1CCO[C@@H](CC)C1.
What is the InChIKey of ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate?
The InChIKey is GYPMHQTUMQIHDK-UWVGGRQHSA-N. The full InChI is InChI=1S/C11H21NO3/c1-4-10-8-9(6-7-15-10)12(3)11(13)14-5-2/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate?
ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate has a molecular weight of 215.29 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[(2S,4S)-2-ethyloxan-4-yl]-N-methylcarbamate is sourced from PubChem (CID 126729772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).