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

C14H20FNO3 — CID 75529564

IUPAC(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol
SMILESCOC[C@H]1C[C@@H](NCc2ccc(F)cc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H20FNO3/c1-19-8-10-6-12(14(18)13(10)17)16-7-9-2-4-11(15)5-3-9/h2-5,10,12-14,16-18H,6-8H2,1H3/t10-,12-,13-,14+/m1/s1
InChIKeyMNHKATFQBBQUCV-ZRJCITRHSA-N
MW269.32 g/mol
LogP0.67
Rot. Bonds5

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

(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol (PubChem CID 75529564) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol
PubChem CID75529564
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol
SMILESCOC[C@H]1C[C@@H](NCc2ccc(F)cc2)[C@H](O)[C@@H]1O
InChIInChI=1S/C14H20FNO3/c1-19-8-10-6-12(14(18)13(10)17)16-7-9-2-4-11(15)5-3-9/h2-5,10,12-14,16-18H,6-8H2,1H3/t10-,12-,13-,14+/m1/s1
InChIKeyMNHKATFQBBQUCV-ZRJCITRHSA-N
XLogP0.67
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol (CID 75529564) is (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol is COC[C@H]1C[C@@H](NCc2ccc(F)cc2)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol?
The InChIKey is MNHKATFQBBQUCV-ZRJCITRHSA-N. The full InChI is InChI=1S/C14H20FNO3/c1-19-8-10-6-12(14(18)13(10)17)16-7-9-2-4-11(15)5-3-9/h2-5,10,12-14,16-18H,6-8H2,1H3/t10-,12-,13-,14+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol?
(1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol has a molecular weight of 269.32 g/mol, XLogP of 0.67, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-[(4-fluorophenyl)methylamino]-5-(methoxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 75529564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).