(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide

C13H20N2O2 — CID 98763074

IUPAC(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1
InChIInChI=1S/C13H20N2O2/c14-12(16)10-3-4-15(7-10)13(17)11-6-8-1-2-9(11)5-8/h8-11H,1-7H2,(H2,14,16)/t8-,9-,10+,11-/m0/s1
InChIKeyBWLZSYXQJSNCQR-MMWGEVLESA-N
MW236.31 g/mol
LogP0.76
Rot. Bonds2

About (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide

(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 98763074) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide
PubChem CID98763074
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1
InChIInChI=1S/C13H20N2O2/c14-12(16)10-3-4-15(7-10)13(17)11-6-8-1-2-9(11)5-8/h8-11H,1-7H2,(H2,14,16)/t8-,9-,10+,11-/m0/s1
InChIKeyBWLZSYXQJSNCQR-MMWGEVLESA-N
XLogP0.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-(bicyclo[2.2.1]heptane-2-carbonyl)pyrrolidine-3-carboxamide
CID 56813699
[(1R,2S,4S)-2-bicyclo[2.2.1]heptanyl]-piperidin-1-ylmethanone
CID 11871768
2-bicyclo[2.2.1]heptanyl-(4-chloropiperidin-1-yl)methanone
CID 63390766
[(3S)-1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 129377734
[4-[(1R,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]piperazin-1-yl]-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]methanone
CID 99726376
1-(2-bicyclo[2.2.1]heptanylcarbamothioyl)pyrrolidine-3-carboxamide
CID 71893772
ethyl (3S)-1-(bicyclo[2.2.1]heptane-2-carbonyl)piperidine-3-carboxylate
CID 81344758
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-cyclopropylpiperidine-3-carboxamide
CID 100569886
2-(3-carbamoylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114081812
2-bicyclo[2.2.1]heptanyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63263361
1-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021690
2-bicyclo[2.2.1]heptanyl(pyrazolidin-1-yl)methanone
CID 131123694

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide (CID 98763074) is (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide is NC(=O)[C@@H]1CCN(C(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1.
What is the InChIKey of (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is BWLZSYXQJSNCQR-MMWGEVLESA-N. The full InChI is InChI=1S/C13H20N2O2/c14-12(16)10-3-4-15(7-10)13(17)11-6-8-1-2-9(11)5-8/h8-11H,1-7H2,(H2,14,16)/t8-,9-,10+,11-/m0/s1.
What are the key properties of (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide?
(3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 236.31 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S,4S)-bicyclo[2.2.1]heptane-2-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 98763074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).