tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid

C14H19N3O3 — CID 66927351

IUPACtert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(N2CCCC2=O)nc1
InChIInChI=1S/C14H19N3O3/c1-14(2,3)17(13(19)20)10-6-7-11(15-9-10)16-8-4-5-12(16)18/h6-7,9H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyCOBMFYDQRHIUJB-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.49
Rot. Bonds2

About tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid

tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid (PubChem CID 66927351) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid
PubChem CID66927351
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nametert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)c1ccc(N2CCCC2=O)nc1
InChIInChI=1S/C14H19N3O3/c1-14(2,3)17(13(19)20)10-6-7-11(15-9-10)16-8-4-5-12(16)18/h6-7,9H,4-5,8H2,1-3H3,(H,19,20)
InChIKeyCOBMFYDQRHIUJB-UHFFFAOYSA-N
XLogP2.49
TPSA73.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid?
The IUPAC name of tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid (CID 66927351) is tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid.
What is the SMILES notation for tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid?
The canonical SMILES for tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid is CC(C)(C)N(C(=O)O)c1ccc(N2CCCC2=O)nc1.
What is the InChIKey of tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid?
The InChIKey is COBMFYDQRHIUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-14(2,3)17(13(19)20)10-6-7-11(15-9-10)16-8-4-5-12(16)18/h6-7,9H,4-5,8H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid?
tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid has a molecular weight of 277.32 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]carbamic acid is sourced from PubChem (CID 66927351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).