diethyl (2R)-2-cyanopentanedioate

C10H15NO4 — CID 51381364

IUPACdiethyl (2R)-2-cyanopentanedioate
SMILESCCOC(=O)CC[C@H](C#N)C(=O)OCC
InChIInChI=1S/C10H15NO4/c1-3-14-9(12)6-5-8(7-11)10(13)15-4-2/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyCFYXWCUNWACGLA-MRVPVSSYSA-N
MW213.23 g/mol
LogP1.03
Rot. Bonds6

About diethyl (2R)-2-cyanopentanedioate

diethyl (2R)-2-cyanopentanedioate (PubChem CID 51381364) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is diethyl (2R)-2-cyanopentanedioate.

Molecular Properties

Compound Namediethyl (2R)-2-cyanopentanedioate
PubChem CID51381364
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Namediethyl (2R)-2-cyanopentanedioate
SMILESCCOC(=O)CC[C@H](C#N)C(=O)OCC
InChIInChI=1S/C10H15NO4/c1-3-14-9(12)6-5-8(7-11)10(13)15-4-2/h8H,3-6H2,1-2H3/t8-/m1/s1
InChIKeyCFYXWCUNWACGLA-MRVPVSSYSA-N
XLogP1.03
TPSA76.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 2-cyano-3-methylvalerate
CID 98123
Diethyl 2-cyanopentanedioate
CID 225907
Ethyl 2-cyanopentanoate
CID 249721
Ethyl 2-cyano-2-(oxan-4-yl)acetate
CID 15036650
Diethyl 3,3-dicyanopentanedioate
CID 336874
Ethyl 2-cyano-4-methylpentanoate
CID 254670
Dimethyl 2-(cyanomethyl)pentanedioate
CID 11298567
Diethyl 2-cyano-4-methylpentanedioate
CID 13658614
Ethyl 4-cyanopentanoate
CID 14418314
Ethyl 2-cyano-5,5-diethoxypentanoate
CID 14506191
Ethyl 4-cyano-2-(fluoromethyl)butanoate
CID 141084892
Ethyl 2,4-dicyanobutanoate
CID 296466

Frequently Asked Questions

What is the IUPAC name of diethyl (2R)-2-cyanopentanedioate?
The IUPAC name of diethyl (2R)-2-cyanopentanedioate (CID 51381364) is diethyl (2R)-2-cyanopentanedioate.
What is the SMILES notation for diethyl (2R)-2-cyanopentanedioate?
The canonical SMILES for diethyl (2R)-2-cyanopentanedioate is CCOC(=O)CC[C@H](C#N)C(=O)OCC.
What is the InChIKey of diethyl (2R)-2-cyanopentanedioate?
The InChIKey is CFYXWCUNWACGLA-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-14-9(12)6-5-8(7-11)10(13)15-4-2/h8H,3-6H2,1-2H3/t8-/m1/s1.
What are the key properties of diethyl (2R)-2-cyanopentanedioate?
diethyl (2R)-2-cyanopentanedioate has a molecular weight of 213.23 g/mol, XLogP of 1.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl (2R)-2-cyanopentanedioate is sourced from PubChem (CID 51381364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).