2-cyano-3-ethyl-2-propylbutanedioic acid

C10H15NO4 — CID 151105351

IUPAC2-cyano-3-ethyl-2-propylbutanedioic acid
SMILESCCCC(C#N)(C(=O)O)C(CC)C(=O)O
InChIInChI=1S/C10H15NO4/c1-3-5-10(6-11,9(14)15)7(4-2)8(12)13/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMOZLPYMLIJHGIB-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.49
Rot. Bonds6

About 2-cyano-3-ethyl-2-propylbutanedioic acid

2-cyano-3-ethyl-2-propylbutanedioic acid (PubChem CID 151105351) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-cyano-3-ethyl-2-propylbutanedioic acid.

Molecular Properties

Compound Name2-cyano-3-ethyl-2-propylbutanedioic acid
PubChem CID151105351
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name2-cyano-3-ethyl-2-propylbutanedioic acid
SMILESCCCC(C#N)(C(=O)O)C(CC)C(=O)O
InChIInChI=1S/C10H15NO4/c1-3-5-10(6-11,9(14)15)7(4-2)8(12)13/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyMOZLPYMLIJHGIB-UHFFFAOYSA-N
XLogP1.49
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-2-ethyl-3-hydroxybutanoic acid
CID 174847325
(2R)-2-ethyl-3,3-dimethylbutanoic acid
CID 87414884
3,3-dichloro-2-ethyl-5-hydroxypentanoic acid
CID 87745936
potassium;sodium;2-carboxy-2-(1-carboxypropyl)propanedioate
CID 160908994
2,3-diethyl-3-hydroxyheptanoic acid
CID 57207381
2-cyano-2-ethyl-3-oxobutanoic acid
CID 18464143
2-ethyl-3,3-dimethyltetradecanoic acid
CID 175257487
2-(trifluoromethyl)butanoic acid;hydrochloride
CID 175076034
2-(cyanomethyl)-2-propylpentanoic acid
CID 144903309
2-(2-methylpentan-2-yl)butanedioic acid
CID 121418792
2-ethyl-3,4-dihydroxy-3-(hydroxymethyl)butanoic acid
CID 20669294
2-ethoxy-3-ethyl-2-hexylbutanedioic acid
CID 87447391

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-ethyl-2-propylbutanedioic acid?
The IUPAC name of 2-cyano-3-ethyl-2-propylbutanedioic acid (CID 151105351) is 2-cyano-3-ethyl-2-propylbutanedioic acid.
What is the SMILES notation for 2-cyano-3-ethyl-2-propylbutanedioic acid?
The canonical SMILES for 2-cyano-3-ethyl-2-propylbutanedioic acid is CCCC(C#N)(C(=O)O)C(CC)C(=O)O.
What is the InChIKey of 2-cyano-3-ethyl-2-propylbutanedioic acid?
The InChIKey is MOZLPYMLIJHGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-3-5-10(6-11,9(14)15)7(4-2)8(12)13/h7H,3-5H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyano-3-ethyl-2-propylbutanedioic acid?
2-cyano-3-ethyl-2-propylbutanedioic acid has a molecular weight of 213.23 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-ethyl-2-propylbutanedioic acid is sourced from PubChem (CID 151105351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).