methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate

C12H19NO4 — CID 70078315

IUPACmethyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate
SMILESCC[C@@H]1[C@@H](C(=O)OC)[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C12H19NO4/c1-3-8-9(10(8)12(15)16-2)11(14)13-4-6-17-7-5-13/h8-10H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyYODSMWCBRFHWNK-IVZWLZJFSA-N
MW241.29 g/mol
LogP0.29
Rot. Bonds3

About methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate

methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate (PubChem CID 70078315) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate
PubChem CID70078315
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate
SMILESCC[C@@H]1[C@@H](C(=O)OC)[C@@H]1C(=O)N1CCOCC1
InChIInChI=1S/C12H19NO4/c1-3-8-9(10(8)12(15)16-2)11(14)13-4-6-17-7-5-13/h8-10H,3-7H2,1-2H3/t8-,9+,10+/m0/s1
InChIKeyYODSMWCBRFHWNK-IVZWLZJFSA-N
XLogP0.29
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1R,4S)-3-(morpholine-4-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylate
CID 18665367
methyl 3-(morpholine-4-carbonyl)-2,4-diphenylcyclobutane-1-carboxylate
CID 646595
[(1R,2S,3R)-2-(hydroxymethyl)-3-methylcyclopropyl]-morpholin-4-ylmethanone
CID 101259719
methyl morpholine-4-carboxylate
CID 12575354
methyl 1-(2-ethyloxolane-3-carbonyl)piperidine-4-carboxylate
CID 114104347
methyl 1-(2-morpholin-4-yl-2-oxoethyl)pyrrolidine-3-carboxylate
CID 112730542
methyl 2-ethyl-3-trimethylsilyloxycyclopropane-1-carboxylate
CID 15724251
(3S,4R,5S)-4-ethyl-5-(morpholine-4-carbonyl)-2-oxooxolane-3-carboxylic acid
CID 139117396
methyl 3-(morpholine-4-carbonyl)-2-phenyl-1,2-oxazolidine-5-carboxylate
CID 23821465
methyl 1-[2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]acetyl]piperidine-4-carboxylate
CID 55505875
1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 110604424
(4-ethylpiperazin-1-yl)-[2-(morpholine-4-carbonyl)cyclopropyl]methanone
CID 109133273

Frequently Asked Questions

What is the IUPAC name of methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate (CID 70078315) is methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate is CC[C@@H]1[C@@H](C(=O)OC)[C@@H]1C(=O)N1CCOCC1.
What is the InChIKey of methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate?
The InChIKey is YODSMWCBRFHWNK-IVZWLZJFSA-N. The full InChI is InChI=1S/C12H19NO4/c1-3-8-9(10(8)12(15)16-2)11(14)13-4-6-17-7-5-13/h8-10H,3-7H2,1-2H3/t8-,9+,10+/m0/s1.
What are the key properties of methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate?
methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 0.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R,2S,3R)-2-ethyl-3-(morpholine-4-carbonyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 70078315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).