(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol

C15H23NO2 — CID 71693830

IUPAC(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol
SMILESCC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H23NO2/c1-10(2)9-16-14-12(8-13(17)15(14)18)11-6-4-3-5-7-11/h3-7,10,12-18H,8-9H2,1-2H3/t12-,13-,14-,15-/m1/s1
InChIKeyZCRLYGGQCYNLKZ-KBUPBQIOSA-N
MW249.35 g/mol
LogP1.51
Rot. Bonds4

About (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol

(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol (PubChem CID 71693830) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol
PubChem CID71693830
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol
SMILESCC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1
InChIInChI=1S/C15H23NO2/c1-10(2)9-16-14-12(8-13(17)15(14)18)11-6-4-3-5-7-11/h3-7,10,12-18H,8-9H2,1-2H3/t12-,13-,14-,15-/m1/s1
InChIKeyZCRLYGGQCYNLKZ-KBUPBQIOSA-N
XLogP1.51
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol (CID 71693830) is (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol is CC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccccc1.
What is the InChIKey of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol?
The InChIKey is ZCRLYGGQCYNLKZ-KBUPBQIOSA-N. The full InChI is InChI=1S/C15H23NO2/c1-10(2)9-16-14-12(8-13(17)15(14)18)11-6-4-3-5-7-11/h3-7,10,12-18H,8-9H2,1-2H3/t12-,13-,14-,15-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol has a molecular weight of 249.35 g/mol, XLogP of 1.51, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-phenylcyclopentane-1,2-diol is sourced from PubChem (CID 71693830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).