3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

C18H23N3O2 — CID 119781173

IUPAC3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H23N3O2/c19-16-12-7-6-11(10-12)15(16)17(22)20-14-8-9-21(18(14)23)13-4-2-1-3-5-13/h1-5,11-12,14-16H,6-10,19H2,(H,20,22)
InChIKeyUIABTNHAZKHHHR-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.28
Rot. Bonds3

About 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide

3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 119781173) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
PubChem CID119781173
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
SMILESNC1C2CCC(C2)C1C(=O)NC1CCN(c2ccccc2)C1=O
InChIInChI=1S/C18H23N3O2/c19-16-12-7-6-11(10-12)15(16)17(22)20-14-8-9-21(18(14)23)13-4-2-1-3-5-13/h1-5,11-12,14-16H,6-10,19H2,(H,20,22)
InChIKeyUIABTNHAZKHHHR-UHFFFAOYSA-N
XLogP1.28
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide (CID 119781173) is 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is NC1C2CCC(C2)C1C(=O)NC1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UIABTNHAZKHHHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c19-16-12-7-6-11(10-12)15(16)17(22)20-14-8-9-21(18(14)23)13-4-2-1-3-5-13/h1-5,11-12,14-16H,6-10,19H2,(H,20,22).
What are the key properties of 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide?
3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-oxo-1-phenylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 119781173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).