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

C14H22N2O2 — CID 71693840

IUPAC(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol
SMILESCC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1
InChIInChI=1S/C14H22N2O2/c1-9(2)8-16-13-11(7-12(17)14(13)18)10-3-5-15-6-4-10/h3-6,9,11-14,16-18H,7-8H2,1-2H3/t11-,12-,13-,14-/m1/s1
InChIKeyNOARTJCAXPQGLM-AAVRWANBSA-N
MW250.34 g/mol
LogP0.90
Rot. Bonds4

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

(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol (PubChem CID 71693840) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol
PubChem CID71693840
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol
SMILESCC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1
InChIInChI=1S/C14H22N2O2/c1-9(2)8-16-13-11(7-12(17)14(13)18)10-3-5-15-6-4-10/h3-6,9,11-14,16-18H,7-8H2,1-2H3/t11-,12-,13-,14-/m1/s1
InChIKeyNOARTJCAXPQGLM-AAVRWANBSA-N
XLogP0.90
TPSA65.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol (CID 71693840) is (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol is CC(C)CN[C@H]1[C@H](O)[C@H](O)C[C@@H]1c1ccncc1.
What is the InChIKey of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol?
The InChIKey is NOARTJCAXPQGLM-AAVRWANBSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-9(2)8-16-13-11(7-12(17)14(13)18)10-3-5-15-6-4-10/h3-6,9,11-14,16-18H,7-8H2,1-2H3/t11-,12-,13-,14-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol?
(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol has a molecular weight of 250.34 g/mol, XLogP of 0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol is sourced from PubChem (CID 71693840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).