dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate

C14H25NO4 — CID 135003354

IUPACdimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate
SMILESCC[C@@H]1[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@H]1N(CC)CC
InChIInChI=1S/C14H25NO4/c1-6-9-10(13(16)18-4)11(14(17)19-5)12(9)15(7-2)8-3/h9-12H,6-8H2,1-5H3/t9-,10-,11+,12+/m1/s1
InChIKeyQECKKESAYFWOPY-WYUUTHIRSA-N
MW271.36 g/mol
LogP1.32
Rot. Bonds6

About dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate

dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate (PubChem CID 135003354) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate
PubChem CID135003354
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namedimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate
SMILESCC[C@@H]1[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@H]1N(CC)CC
InChIInChI=1S/C14H25NO4/c1-6-9-10(13(16)18-4)11(14(17)19-5)12(9)15(7-2)8-3/h9-12H,6-8H2,1-5H3/t9-,10-,11+,12+/m1/s1
InChIKeyQECKKESAYFWOPY-WYUUTHIRSA-N
XLogP1.32
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate?
The IUPAC name of dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate (CID 135003354) is dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate.
What is the SMILES notation for dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate?
The canonical SMILES for dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate is CC[C@@H]1[C@@H](C(=O)OC)[C@H](C(=O)OC)[C@H]1N(CC)CC.
What is the InChIKey of dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate?
The InChIKey is QECKKESAYFWOPY-WYUUTHIRSA-N. The full InChI is InChI=1S/C14H25NO4/c1-6-9-10(13(16)18-4)11(14(17)19-5)12(9)15(7-2)8-3/h9-12H,6-8H2,1-5H3/t9-,10-,11+,12+/m1/s1.
What are the key properties of dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate?
dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate has a molecular weight of 271.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl (1R,2S,3S,4R)-3-(diethylamino)-4-ethylcyclobutane-1,2-dicarboxylate is sourced from PubChem (CID 135003354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).