7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

C13H19N3O4 — CID 106257966

IUPAC7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCN1CCC(NC(=O)N2C3CCC2C(C(=O)O)C3)C1=O
InChIInChI=1S/C13H19N3O4/c1-15-5-4-9(11(15)17)14-13(20)16-7-2-3-10(16)8(6-7)12(18)19/h7-10H,2-6H2,1H3,(H,14,20)(H,18,19)
InChIKeyRWRIRQNENWNQPF-UHFFFAOYSA-N
MW281.31 g/mol
LogP-0.14
Rot. Bonds2

About 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid

7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (PubChem CID 106257966) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.

Molecular Properties

Compound Name7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
PubChem CID106257966
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid
SMILESCN1CCC(NC(=O)N2C3CCC2C(C(=O)O)C3)C1=O
InChIInChI=1S/C13H19N3O4/c1-15-5-4-9(11(15)17)14-13(20)16-7-2-3-10(16)8(6-7)12(18)19/h7-10H,2-6H2,1H3,(H,14,20)(H,18,19)
InChIKeyRWRIRQNENWNQPF-UHFFFAOYSA-N
XLogP-0.14
TPSA89.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 5-0.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The IUPAC name of 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid (CID 106257966) is 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid.
What is the SMILES notation for 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The canonical SMILES for 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is CN1CCC(NC(=O)N2C3CCC2C(C(=O)O)C3)C1=O.
What is the InChIKey of 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
The InChIKey is RWRIRQNENWNQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-15-5-4-9(11(15)17)14-13(20)16-7-2-3-10(16)8(6-7)12(18)19/h7-10H,2-6H2,1H3,(H,14,20)(H,18,19).
What are the key properties of 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid?
7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of -0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methyl-2-oxopyrrolidin-3-yl)carbamoyl]-7-azabicyclo[2.2.1]heptane-2-carboxylic acid is sourced from PubChem (CID 106257966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).