(2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate

C10H17NO3 — CID 10954557

IUPAC(2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate
SMILESCC(=O)C(C)(C)OC(=O)N1CCCC1
InChIInChI=1S/C10H17NO3/c1-8(12)10(2,3)14-9(13)11-6-4-5-7-11/h4-7H2,1-3H3
InChIKeyLOAZEFVZJZOQGS-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.59
Rot. Bonds2

About (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate

(2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate (PubChem CID 10954557) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate
PubChem CID10954557
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate
SMILESCC(=O)C(C)(C)OC(=O)N1CCCC1
InChIInChI=1S/C10H17NO3/c1-8(12)10(2,3)14-9(13)11-6-4-5-7-11/h4-7H2,1-3H3
InChIKeyLOAZEFVZJZOQGS-UHFFFAOYSA-N
XLogP1.59
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate?
The IUPAC name of (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate (CID 10954557) is (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate?
The canonical SMILES for (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate is CC(=O)C(C)(C)OC(=O)N1CCCC1.
What is the InChIKey of (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate?
The InChIKey is LOAZEFVZJZOQGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8(12)10(2,3)14-9(13)11-6-4-5-7-11/h4-7H2,1-3H3.
What are the key properties of (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate?
(2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate has a molecular weight of 199.25 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3-oxobutan-2-yl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 10954557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).