(1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol

C12H17NO4 — CID 11987838

IUPAC(1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@H](O)[C@H](O)C(NCc2ccccc2)[C@@H]1O
InChIInChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8?,9-,10+,11-,12+
InChIKeyAQARFUBRAYWQBH-CQGIUEJESA-N
MW239.27 g/mol
LogP-1.40
Rot. Bonds3

About (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol

(1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol (PubChem CID 11987838) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol
PubChem CID11987838
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name(1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@H](O)[C@H](O)C(NCc2ccccc2)[C@@H]1O
InChIInChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8?,9-,10+,11-,12+
InChIKeyAQARFUBRAYWQBH-CQGIUEJESA-N
XLogP-1.40
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol?
The IUPAC name of (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol (CID 11987838) is (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol is O[C@@H]1[C@H](O)[C@H](O)C(NCc2ccccc2)[C@@H]1O.
What is the InChIKey of (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol?
The InChIKey is AQARFUBRAYWQBH-CQGIUEJESA-N. The full InChI is InChI=1S/C12H17NO4/c14-9-8(10(15)12(17)11(9)16)13-6-7-4-2-1-3-5-7/h1-5,8-17H,6H2/t8?,9-,10+,11-,12+.
What are the key properties of (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol?
(1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol has a molecular weight of 239.27 g/mol, XLogP of -1.40, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R,4R)-5-(benzylamino)cyclopentane-1,2,3,4-tetrol is sourced from PubChem (CID 11987838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).