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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Related Compounds

1-[(2S,4S)-2-ethyloxan-4-yl]-1,3-dimethylurea
CID 126729792
ethyl N-[4-[4-[ethoxycarbonyl(methyl)amino]cyclohexyl]cyclohexyl]-N-methylcarbamate
CID 123982120
ethyl N-(4-aminocyclohexyl)-N-methylcarbamate
CID 79121309
2-[tert-butyl-(2-ethyloxan-4-yl)amino]acetic acid
CID 79268341
ethyl 5-bromo-3-[ethoxycarbonyl-[(2S)-2-ethyloxan-4-yl]amino]furo[2,3-c]pyridine-2-carboxylate
CID 126729706
ethyl N-[4-(ethylamino)cyclohexyl]-N-methylcarbamate
CID 79122099
1-[3-(dimethylamino)azetidin-1-yl]-2-(2-ethyloxan-4-yl)ethanone
CID 167787695
4-N-ethyl-4-N-(2-ethyloxan-4-yl)cyclohexane-1,4-diamine
CID 79115915
ethyl N-(2-ethyloxan-4-yl)-N-[2-[methoxy(methyl)carbamoyl]-6-methyl-5-(1-methylpyrazol-4-yl)furo[3,2-b]pyridin-3-yl]carbamate
CID 123333267
ethyl N-methyl-N-(1-propan-2-ylazetidin-3-yl)carbamate
CID 146427373
ethyl N-[(2R,4R)-2-ethyloxan-4-yl]-N-[5-ethynyl-2-(methoxymethylcarbamoyl)furo[3,2-b]pyridin-3-yl]carbamate
CID 125499088
(2R,4R)-2-ethyloxan-4-amine
CID 82651052

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).