tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate

C15H28N2O3 — CID 53340240

IUPACtert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-7-17(14(19)20-15(4,5)6)12-8-9-16(10-12)13(18)11(2)3/h11-12H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyRBRPZIKADUQLIH-GFCCVEGCSA-N
MW284.40 g/mol
LogP2.50
Rot. Bonds3

About tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate

tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate (PubChem CID 53340240) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate
PubChem CID53340240
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Nametert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate
SMILESCCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(C)C)C1
InChIInChI=1S/C15H28N2O3/c1-7-17(14(19)20-15(4,5)6)12-8-9-16(10-12)13(18)11(2)3/h11-12H,7-10H2,1-6H3/t12-/m1/s1
InChIKeyRBRPZIKADUQLIH-GFCCVEGCSA-N
XLogP2.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate (CID 53340240) is tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate is CCN(C(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)C(C)C)C1.
What is the InChIKey of tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate?
The InChIKey is RBRPZIKADUQLIH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-7-17(14(19)20-15(4,5)6)12-8-9-16(10-12)13(18)11(2)3/h11-12H,7-10H2,1-6H3/t12-/m1/s1.
What are the key properties of tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate?
tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate has a molecular weight of 284.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-ethyl-N-[(3R)-1-(2-methylpropanoyl)pyrrolidin-3-yl]carbamate is sourced from PubChem (CID 53340240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).