(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide

C12H21NO2 — CID 124510978

IUPAC(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCN(C)C(=O)[C@@]12CC[C@@H](C1)C(C)(C)[C@H]2O
InChIInChI=1S/C12H21NO2/c1-11(2)8-5-6-12(7-8,9(11)14)10(15)13(3)4/h8-9,14H,5-7H2,1-4H3/t8-,9+,12-/m0/s1
InChIKeyOUJMBGMVGVPNDF-SBMIAAHKSA-N
MW211.30 g/mol
LogP1.26
Rot. Bonds1

About (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide

(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 124510978) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID124510978
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCN(C)C(=O)[C@@]12CC[C@@H](C1)C(C)(C)[C@H]2O
InChIInChI=1S/C12H21NO2/c1-11(2)8-5-6-12(7-8,9(11)14)10(15)13(3)4/h8-9,14H,5-7H2,1-4H3/t8-,9+,12-/m0/s1
InChIKeyOUJMBGMVGVPNDF-SBMIAAHKSA-N
XLogP1.26
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide with MolForge

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Related Compounds

(1R,2R,4R)-2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 7025480
methyl (1S,2R,4S)-2-hydroxy-3,3-dimethylbicyclo[2.2.1]heptane-1-carboxylate
CID 124858995
[(1S,2R,4S)-2-hydroxy-3,3-dimethyl-1-bicyclo[2.2.1]heptanyl]-piperazin-1-ylmethanone
CID 97033345
2-bromo-N,N,1-trimethylcyclopropane-1-carboxamide
CID 12537186
(1R,2R,4R)-2-hydroxy-N,N,7,7-tetramethylbicyclo[2.2.1]heptane-1-carboxamide
CID 129374807
(1R,2R,4S)-1-[2-(dimethylamino)ethyl]-3,3-dimethylbicyclo[2.2.1]heptan-2-ol
CID 102084432
(1R,2R,4R)-N,N,2-trimethylbicyclo[2.2.1]heptane-2-carboxamide
CID 98511309
(1S,2R,3S)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
CID 102475439
(1R,2S,3R)-1-ethyl-2-hydroxy-N,N,2,3-tetramethylcyclopentane-1-carboxamide
CID 25098819
1-methoxy-3,3-dimethylbicyclo[2.2.2]octan-2-ol
CID 130128607
1,1-diethyl-3-(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)urea
CID 113239651
(1S,2R,4R)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol;(1S,2S,4S)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 135369493

Frequently Asked Questions

What is the IUPAC name of (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide (CID 124510978) is (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide is CN(C)C(=O)[C@@]12CC[C@@H](C1)C(C)(C)[C@H]2O.
What is the InChIKey of (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is OUJMBGMVGVPNDF-SBMIAAHKSA-N. The full InChI is InChI=1S/C12H21NO2/c1-11(2)8-5-6-12(7-8,9(11)14)10(15)13(3)4/h8-9,14H,5-7H2,1-4H3/t8-,9+,12-/m0/s1.
What are the key properties of (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide?
(1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,4S)-2-hydroxy-N,N,3,3-tetramethylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 124510978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).