(1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol

C12H16FNO4 — CID 57339713

IUPAC(1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@H](O)[C@H](O)C(NCc2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C12H16FNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8?,9-,10+,11-,12+
InChIKeyZOJYEVHMPGSACR-CQGIUEJESA-N
MW257.26 g/mol
LogP-1.26
Rot. Bonds3

About (1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol

(1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol (PubChem CID 57339713) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is (1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol
PubChem CID57339713
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name(1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol
SMILESO[C@@H]1[C@H](O)[C@H](O)C(NCc2ccc(F)cc2)[C@@H]1O
InChIInChI=1S/C12H16FNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8?,9-,10+,11-,12+
InChIKeyZOJYEVHMPGSACR-CQGIUEJESA-N
XLogP-1.26
TPSA92.95 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 5-1.26
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-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol?
The IUPAC name of (1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol (CID 57339713) is (1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol.
What is the SMILES notation for (1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol?
The canonical SMILES for (1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol is O[C@@H]1[C@H](O)[C@H](O)C(NCc2ccc(F)cc2)[C@@H]1O.
What is the InChIKey of (1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol?
The InChIKey is ZOJYEVHMPGSACR-CQGIUEJESA-N. The full InChI is InChI=1S/C12H16FNO4/c13-7-3-1-6(2-4-7)5-14-8-9(15)11(17)12(18)10(8)16/h1-4,8-12,14-18H,5H2/t8?,9-,10+,11-,12+.
What are the key properties of (1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol?
(1S,2S,3R,4R)-5-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol has a molecular weight of 257.26 g/mol, XLogP of -1.26, 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-[(4-fluorophenyl)methylamino]cyclopentane-1,2,3,4-tetrol is sourced from PubChem (CID 57339713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).