diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate

C19H25NO6 — CID 8886196

IUPACdiethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(OCC(=O)N[C@@H](C)C2CC2)cc(C(=O)OCC)c1
InChIInChI=1S/C19H25NO6/c1-4-24-18(22)14-8-15(19(23)25-5-2)10-16(9-14)26-11-17(21)20-12(3)13-6-7-13/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyMUBUUEKNLDMJDW-LBPRGKRZSA-N
MW363.41 g/mol
LogP2.33
Rot. Bonds9

About diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate

diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate (PubChem CID 8886196) has the molecular formula C19H25NO6 and a molecular weight of 363.41 g/mol. Its IUPAC name is diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
PubChem CID8886196
Molecular FormulaC19H25NO6
Molecular Weight363.41 g/mol
Exact Mass363.17
IUPAC Namediethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate
SMILESCCOC(=O)c1cc(OCC(=O)N[C@@H](C)C2CC2)cc(C(=O)OCC)c1
InChIInChI=1S/C19H25NO6/c1-4-24-18(22)14-8-15(19(23)25-5-2)10-16(9-14)26-11-17(21)20-12(3)13-6-7-13/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,21)/t12-/m0/s1
InChIKeyMUBUUEKNLDMJDW-LBPRGKRZSA-N
XLogP2.33
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzoate
CID 34140038
diethyl 5-[2-oxo-2-[[(2S)-4-phenylbutan-2-yl]amino]ethoxy]benzene-1,3-dicarboxylate
CID 7917436
2-(6-acetylnaphthalen-2-yl)oxy-N-(1-cyclopropylethyl)acetamide
CID 71863242
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] benzoate
CID 9018942
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3-amino-4-methylbenzoate
CID 9289552
diethyl 5-[2-oxo-2-(prop-2-ynylamino)ethoxy]benzene-1,3-dicarboxylate
CID 8886180
2-(3-cyanophenoxy)-N-[(1R)-1-cyclopropylethyl]acetamide
CID 9334701
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 3,4-difluorobenzoate
CID 9490825
diethyl 5-[2-(2,5-dimethylanilino)-2-oxoethoxy]benzene-1,3-dicarboxylate
CID 7917451
[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018334
[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethyl] 2-phenoxyacetate
CID 9018333
N-cyclopentyl-4-[2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzamide
CID 95310406

Frequently Asked Questions

What is the IUPAC name of diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate?
The IUPAC name of diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate (CID 8886196) is diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate.
What is the SMILES notation for diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate?
The canonical SMILES for diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate is CCOC(=O)c1cc(OCC(=O)N[C@@H](C)C2CC2)cc(C(=O)OCC)c1.
What is the InChIKey of diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate?
The InChIKey is MUBUUEKNLDMJDW-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H25NO6/c1-4-24-18(22)14-8-15(19(23)25-5-2)10-16(9-14)26-11-17(21)20-12(3)13-6-7-13/h8-10,12-13H,4-7,11H2,1-3H3,(H,20,21)/t12-/m0/s1.
What are the key properties of diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate?
diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate has a molecular weight of 363.41 g/mol, XLogP of 2.33, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 5-[2-[[(1S)-1-cyclopropylethyl]amino]-2-oxoethoxy]benzene-1,3-dicarboxylate is sourced from PubChem (CID 8886196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).