(2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride

C21H28ClNO2 — CID 67744270

IUPAC(2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride
SMILESCC(C)(C)NC1CC(c2ccccc2)(c2ccccc2)[C@@H](O)C1O.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-20(2,3)22-17-14-21(19(24)18(17)23,15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13,17-19,22-24H,14H2,1-3H3;1H/t17?,18?,19-;/m0./s1
InChIKeyJMTGWJQRFVRGFJ-POAWQLQASA-N
MW361.91 g/mol
LogP3.28
Rot. Bonds3

About (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride

(2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride (PubChem CID 67744270) has the molecular formula C21H28ClNO2 and a molecular weight of 361.91 g/mol. Its IUPAC name is (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride
PubChem CID67744270
Molecular FormulaC21H28ClNO2
Molecular Weight361.91 g/mol
Exact Mass361.18
IUPAC Name(2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride
SMILESCC(C)(C)NC1CC(c2ccccc2)(c2ccccc2)[C@@H](O)C1O.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-20(2,3)22-17-14-21(19(24)18(17)23,15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13,17-19,22-24H,14H2,1-3H3;1H/t17?,18?,19-;/m0./s1
InChIKeyJMTGWJQRFVRGFJ-POAWQLQASA-N
XLogP3.28
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride?
The IUPAC name of (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride (CID 67744270) is (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride.
What is the SMILES notation for (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride?
The canonical SMILES for (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride is CC(C)(C)NC1CC(c2ccccc2)(c2ccccc2)[C@@H](O)C1O.Cl.
What is the InChIKey of (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride?
The InChIKey is JMTGWJQRFVRGFJ-POAWQLQASA-N. The full InChI is InChI=1S/C21H27NO2.ClH/c1-20(2,3)22-17-14-21(19(24)18(17)23,15-10-6-4-7-11-15)16-12-8-5-9-13-16;/h4-13,17-19,22-24H,14H2,1-3H3;1H/t17?,18?,19-;/m0./s1.
What are the key properties of (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride?
(2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride has a molecular weight of 361.91 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(tert-butylamino)-3,3-diphenylcyclopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 67744270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).