(3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone

C13H22N2O2 — CID 71047045

IUPAC(3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](O)CN1C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C13H22N2O2/c1-7-4-10(16)6-15(7)13(17)11-8-2-3-9(5-8)12(11)14/h7-12,16H,2-6,14H2,1H3/t7-,8?,9?,10+,11?,12?/m1/s1
InChIKeyBJCXMEBGSZDHAH-WYNMNGNHSA-N
MW238.33 g/mol
LogP0.34
Rot. Bonds1

About (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone

(3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone (PubChem CID 71047045) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
PubChem CID71047045
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name(3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone
SMILESC[C@@H]1C[C@H](O)CN1C(=O)C1C2CCC(C2)C1N
InChIInChI=1S/C13H22N2O2/c1-7-4-10(16)6-15(7)13(17)11-8-2-3-9(5-8)12(11)14/h7-12,16H,2-6,14H2,1H3/t7-,8?,9?,10+,11?,12?/m1/s1
InChIKeyBJCXMEBGSZDHAH-WYNMNGNHSA-N
XLogP0.34
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(3-amino-2-bicyclo[2.2.1]heptanyl)-(2-methylthiomorpholin-4-yl)methanone;hydrochloride
CID 119774183
(3-amino-2-bicyclo[2.2.1]heptanyl)-(2,3-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)methanone;hydrochloride
CID 119796384
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(3-amino-2-bicyclo[2.2.1]heptanyl)methanone
CID 102726157
[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)piperidin-4-yl]-(4-methylpiperidin-1-yl)methanone;hydrochloride
CID 119738138
(1R,2R,3S,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid
CID 13202626
(3-amino-2-bicyclo[2.2.1]heptanyl)-[4-(2-hydroxypropyl)-3-methylpiperazin-1-yl]methanone;dihydrochloride
CID 119880091
1-[4-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)-1,4-diazepan-1-yl]ethanone;hydrochloride
CID 119399343
2-[1-(3-aminobicyclo[2.2.1]heptane-2-carbonyl)azetidin-3-yl]acetic acid
CID 64605196
(1S,2S,3R,4R)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 43865924
(1R,2S,3R,4S)-3-aminobicyclo[2.2.1]heptane-2-carboxylic acid;hydrochloride
CID 67196901
(3-amino-2-bicyclo[2.2.1]heptanyl)-[3-(2-methylpropyl)pyrrolidin-1-yl]methanone
CID 119781903
(3-amino-2-bicyclo[2.2.1]heptanyl)-thiomorpholin-4-ylmethanone;hydrochloride
CID 119705162

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone (CID 71047045) is (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone is C[C@@H]1C[C@H](O)CN1C(=O)C1C2CCC(C2)C1N.
What is the InChIKey of (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is BJCXMEBGSZDHAH-WYNMNGNHSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-7-4-10(16)6-15(7)13(17)11-8-2-3-9(5-8)12(11)14/h7-12,16H,2-6,14H2,1H3/t7-,8?,9?,10+,11?,12?/m1/s1.
What are the key properties of (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone?
(3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 238.33 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-bicyclo[2.2.1]heptanyl)-[(2R,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 71047045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).