(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

C10H19NO2 — CID 124910474

IUPAC(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](O)[C@H]2NO
InChIInChI=1S/C10H19NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6-8,11-13H,4-5H2,1-3H3/t6-,7-,8-,10-/m0/s1
InChIKeyJCWHIQRLMZZEPH-GHCJXIJMSA-N
MW185.27 g/mol
LogP1.15
Rot. Bonds1

About (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 124910474) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID124910474
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC1(C)[C@H]2CC[C@@]1(C)[C@@H](O)[C@H]2NO
InChIInChI=1S/C10H19NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6-8,11-13H,4-5H2,1-3H3/t6-,7-,8-,10-/m0/s1
InChIKeyJCWHIQRLMZZEPH-GHCJXIJMSA-N
XLogP1.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,7,7-trimethyl-3-(propan-2-ylamino)bicyclo[2.2.1]heptan-2-ol
CID 14764693
(1R,2R,3S,4R)-3-(2-hydroxyethylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 124768497
(1R,2S,3R,4R)-3-(butylamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 98129574
(2S,3R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-diol
CID 101471521
1,7,7-trimethyl-3-(2-phenylhydrazinyl)bicyclo[2.2.1]heptan-2-ol
CID 102377382
ethyl N-[(1S,2R,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]carbamate
CID 7054096
(2R,3R,4S)-1,7,7-trimethyl-3-sulfanylbicyclo[2.2.1]heptan-2-ol
CID 168820101
(1R,2R,3S,4S)-3-[[(1S,2S,3R,4R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]diselanyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 15349595
1,7,7-trimethyl-3-(thiophen-2-ylmethylamino)bicyclo[2.2.1]heptan-2-ol
CID 14559512
1-[(2S,3R)-3-hydroxy-4,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-3-(4-methylphenyl)sulfonylurea
CID 59004857
(1R,2R,3S,4S)-4,7,7-trimethyl-3-(methylamino)bicyclo[2.2.1]heptan-2-ol
CID 22217643
(1R,2S,3R,4S)-3-[(2-hydroxy-5-methoxyphenyl)methylamino]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 139248307

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol (CID 124910474) is (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is CC1(C)[C@H]2CC[C@@]1(C)[C@@H](O)[C@H]2NO.
What is the InChIKey of (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is JCWHIQRLMZZEPH-GHCJXIJMSA-N. The full InChI is InChI=1S/C10H19NO2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11-13/h6-8,11-13H,4-5H2,1-3H3/t6-,7-,8-,10-/m0/s1.
What are the key properties of (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol?
(1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 185.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R)-3-(hydroxyamino)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 124910474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).