(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol

C12H17NO2 — CID 163753125

IUPAC(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
SMILESO[C@@H]1[C@H](O)CC[C@H]1NCc1ccccc1
InChIInChI=1S/C12H17NO2/c14-11-7-6-10(12(11)15)13-8-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2/t10-,11-,12+/m1/s1
InChIKeyLRTOSSHKRXODOP-UTUOFQBUSA-N
MW207.27 g/mol
LogP0.66
Rot. Bonds3

About (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol

(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol (PubChem CID 163753125) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
PubChem CID163753125
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol
SMILESO[C@@H]1[C@H](O)CC[C@H]1NCc1ccccc1
InChIInChI=1S/C12H17NO2/c14-11-7-6-10(12(11)15)13-8-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2/t10-,11-,12+/m1/s1
InChIKeyLRTOSSHKRXODOP-UTUOFQBUSA-N
XLogP0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-aminocyclohexane-1,2-diol;3-(benzylamino)cyclohexane-1,2-diol;methane
CID 159287111
2-(benzylamino)cyclopentane-1,3-diol
CID 57123230
(1R)-2-(benzylamino)cyclohexan-1-ol
CID 67149916
cis-(1S,2R)-2-(benzylamino)cyclooctan-1-ol
CID 129411683
(1S,2R,5R)-N-benzylbicyclo[3.1.0]hexan-2-amine
CID 155210583
(1S,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
CID 7155133
(1R,2R,4S)-2-(benzylamino)-4-ethenylcyclohexan-1-ol
CID 7155137
(1R,2R,3R,4R,6R)-4-(benzylamino)-6-methylcyclohexane-1,2,3-triol
CID 101200286
2-(pyridin-4-ylmethylamino)cyclobutan-1-ol
CID 126856533
trans-(1S,2R)-N-benzyl-2-tert-butylcyclopropan-1-amine
CID 174043100
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
N-benzyl-5-methylazepan-4-amine
CID 174634749

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol (CID 163753125) is (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol is O[C@@H]1[C@H](O)CC[C@H]1NCc1ccccc1.
What is the InChIKey of (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol?
The InChIKey is LRTOSSHKRXODOP-UTUOFQBUSA-N. The full InChI is InChI=1S/C12H17NO2/c14-11-7-6-10(12(11)15)13-8-9-4-2-1-3-5-9/h1-5,10-15H,6-8H2/t10-,11-,12+/m1/s1.
What are the key properties of (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol?
(1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol has a molecular weight of 207.27 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R)-3-(benzylamino)cyclopentane-1,2-diol is sourced from PubChem (CID 163753125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).