cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol

C13H20N2O3 — CID 75368108

IUPACcis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol
SMILESOCC1(CNCc2cccnc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C13H20N2O3/c16-9-13(4-11(17)12(18)5-13)8-15-7-10-2-1-3-14-6-10/h1-3,6,11-12,15-18H,4-5,7-9H2/t11-,12+,13?
InChIKeyMLZNMRAWACWABT-FUNVUKJBSA-N
MW252.31 g/mol
LogP-0.33
Rot. Bonds5

About cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol

cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol (PubChem CID 75368108) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol
PubChem CID75368108
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Namecis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol
SMILESOCC1(CNCc2cccnc2)C[C@@H](O)[C@@H](O)C1
InChIInChI=1S/C13H20N2O3/c16-9-13(4-11(17)12(18)5-13)8-15-7-10-2-1-3-14-6-10/h1-3,6,11-12,15-18H,4-5,7-9H2/t11-,12+,13?
InChIKeyMLZNMRAWACWABT-FUNVUKJBSA-N
XLogP-0.33
TPSA85.61 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(1R,2S,3S,4S,5S)-5-(pyridin-3-ylmethylamino)cyclohexane-1,2,3,4-tetrol
CID 118737928
(1R,2S,3R,4R)-3-(2-methylpropylamino)-4-pyridin-4-ylcyclopentane-1,2-diol
CID 71693840
N-[[(3R,4S)-3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 75368083
(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(pyridin-3-ylmethylamino)cyclopentane-1,2-diol
CID 75529450
3-Amino-2,2-dimethyl-3-(pyridin-3-yl)propan-1-ol
CID 119031821
(2R,3R,4S,5S)-2-(Hydroxymethyl)-5-(pyridin-3-yl)pyrrolidine-3,4-diol
CID 9794323
2-(Hydroxymethyl)-5-(pyridin-3-yl)pyrrolidine-3,4-diol
CID 23296328
(1R,2S,3R,4R)-3-(Isobutylamino)-4-(3-pyridinyl)-1,2-cyclopentanediol
CID 71693834
3-[[(5-Fluoro-3-pyridinyl)methylamino]methyl]cyclopentan-1-ol
CID 103270855
[1-[[(5-Fluoro-3-pyridinyl)methylamino]methyl]cyclopentyl]methanol
CID 113626489
5-(Pyridin-3-ylmethylamino)pentan-1-ol
CID 17206502
3-(Pyrid-4-yl)-3-(2-hydroxyethyl)-pyrrolidine
CID 18464796

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol?
The IUPAC name of cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol (CID 75368108) is cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol is OCC1(CNCc2cccnc2)C[C@@H](O)[C@@H](O)C1.
What is the InChIKey of cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol?
The InChIKey is MLZNMRAWACWABT-FUNVUKJBSA-N. The full InChI is InChI=1S/C13H20N2O3/c16-9-13(4-11(17)12(18)5-13)8-15-7-10-2-1-3-14-6-10/h1-3,6,11-12,15-18H,4-5,7-9H2/t11-,12+,13?.
What are the key properties of cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol?
cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol has a molecular weight of 252.31 g/mol, XLogP of -0.33, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-(hydroxymethyl)-4-[(pyridin-3-ylmethylamino)methyl]cyclopentane-1,2-diol is sourced from PubChem (CID 75368108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).