2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate

C10H16N2O3 — CID 68806208

IUPAC2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CC(O)C(C#N)C1
InChIInChI=1S/C10H16N2O3/c1-7(2)6-15-10(14)12-4-8(3-11)9(13)5-12/h7-9,13H,4-6H2,1-2H3
InChIKeyXKFNMDLZSTUTRB-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.60
Rot. Bonds2

About 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate

2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 68806208) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
PubChem CID68806208
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)COC(=O)N1CC(O)C(C#N)C1
InChIInChI=1S/C10H16N2O3/c1-7(2)6-15-10(14)12-4-8(3-11)9(13)5-12/h7-9,13H,4-6H2,1-2H3
InChIKeyXKFNMDLZSTUTRB-UHFFFAOYSA-N
XLogP0.60
TPSA73.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate (CID 68806208) is 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate is CC(C)COC(=O)N1CC(O)C(C#N)C1.
What is the InChIKey of 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is XKFNMDLZSTUTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-7(2)6-15-10(14)12-4-8(3-11)9(13)5-12/h7-9,13H,4-6H2,1-2H3.
What are the key properties of 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate?
2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropyl 3-cyano-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 68806208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).