ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate

C9H17NO3 — CID 13414046

IUPACethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate
SMILESCCOC(=O)N1[C@H](C)COC[C@H]1C
InChIInChI=1S/C9H17NO3/c1-4-13-9(11)10-7(2)5-12-6-8(10)3/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyTYHUYYRXOJVDJF-HTQZYQBOSA-N
MW187.24 g/mol
LogP1.25
Rot. Bonds1

About ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate

ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate (PubChem CID 13414046) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate.

Molecular Properties

Compound Nameethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate
PubChem CID13414046
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nameethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate
SMILESCCOC(=O)N1[C@H](C)COC[C@H]1C
InChIInChI=1S/C9H17NO3/c1-4-13-9(11)10-7(2)5-12-6-8(10)3/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1
InChIKeyTYHUYYRXOJVDJF-HTQZYQBOSA-N
XLogP1.25
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2,6-dimethylpiperazine-1,4-dicarboxylate
CID 121013120
1-[(3R,5S)-3,5-dimethylmorpholin-4-yl]propan-1-one
CID 118219644
chloromethyl 3-ethynyl-5-methylmorpholine-4-carboxylate
CID 123708767
ethyl (2R)-2-methylaziridine-1-carboxylate
CID 129364107
4-amino-1-(3,5-dimethylmorpholin-4-yl)-3-methoxybutan-1-one
CID 120593084
ethyl N-(1,3-dioxan-5-yl)carbamate
CID 67075992
2-(3,5-dimethylmorpholin-4-yl)acetohydrazide
CID 86703014
ethyl (1S,4R)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate
CID 11062780
ethyl N-[(3R,4S)-4-hydroxyoxolan-3-yl]carbamate
CID 130751480
1-(3,5-dimethylmorpholin-4-yl)but-2-yn-1-one
CID 131000804
ethyl 2-methyl-2-(oxetan-3-yl)propanoate
CID 170912678
ethyl 2-ethyl-6-methyl-4-(methylamino)piperidine-1-carboxylate
CID 123873805

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate?
The IUPAC name of ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate (CID 13414046) is ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate.
What is the SMILES notation for ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate?
The canonical SMILES for ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate is CCOC(=O)N1[C@H](C)COC[C@H]1C.
What is the InChIKey of ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate?
The InChIKey is TYHUYYRXOJVDJF-HTQZYQBOSA-N. The full InChI is InChI=1S/C9H17NO3/c1-4-13-9(11)10-7(2)5-12-6-8(10)3/h7-8H,4-6H2,1-3H3/t7-,8-/m1/s1.
What are the key properties of ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate?
ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate has a molecular weight of 187.24 g/mol, XLogP of 1.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,5R)-3,5-dimethylmorpholine-4-carboxylate is sourced from PubChem (CID 13414046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).