(3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol

C11H20N2O — CID 131086426

IUPAC(3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NC1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c14-11-6-12-5-10(11)13-9-4-7-1-2-8(9)3-7/h7-14H,1-6H2/t7?,8?,9?,10-,11-/m1/s1
InChIKeyDLIBKFIIOBTVGS-IECOREMASA-N
MW196.29 g/mol
LogP0.10
Rot. Bonds2

About (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol

(3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol (PubChem CID 131086426) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol
PubChem CID131086426
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name(3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol
SMILESO[C@@H]1CNC[C@H]1NC1CC2CCC1C2
InChIInChI=1S/C11H20N2O/c14-11-6-12-5-10(11)13-9-4-7-1-2-8(9)3-7/h7-14H,1-6H2/t7?,8?,9?,10-,11-/m1/s1
InChIKeyDLIBKFIIOBTVGS-IECOREMASA-N
XLogP0.10
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pyrrolidin-2-ylcyclopentyl)bicyclo[2.2.1]heptan-2-amine
CID 79544366
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-4-iodobenzamide
CID 2231103
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]cyanamide
CID 55287804
3-azabicyclo[3.2.2]nonan-6-ol
CID 58023136
N-(3-methylcyclobutyl)bicyclo[2.2.1]heptan-2-amine
CID 115892511
N-(4-methylpyrrolidin-3-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 104826199
(3S)-N-(2-bicyclo[2.2.1]heptanyl)oxan-3-amine
CID 130778573
N-(2-bicyclo[2.2.1]heptanyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364632
N-fluorobicyclo[2.2.1]heptan-2-amine
CID 123516667
(3S,4S)-4-(methylamino)pyrrolidin-3-ol
CID 59440456
N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-1-methylpiperidin-4-amine
CID 98119463
N-(2-bicyclo[2.2.1]heptanyl)-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119790639

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol?
The IUPAC name of (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol (CID 131086426) is (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol is O[C@@H]1CNC[C@H]1NC1CC2CCC1C2.
What is the InChIKey of (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol?
The InChIKey is DLIBKFIIOBTVGS-IECOREMASA-N. The full InChI is InChI=1S/C11H20N2O/c14-11-6-12-5-10(11)13-9-4-7-1-2-8(9)3-7/h7-14H,1-6H2/t7?,8?,9?,10-,11-/m1/s1.
What are the key properties of (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol?
(3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol has a molecular weight of 196.29 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(2-bicyclo[2.2.1]heptanylamino)pyrrolidin-3-ol is sourced from PubChem (CID 131086426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).