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

C16H24N2O3 — CID 75367883

IUPACcis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESO[C@@H]1CC(CNCC2CC2)(COc2cccnc2)C[C@@H]1O
InChIInChI=1S/C16H24N2O3/c19-14-6-16(7-15(14)20,10-18-8-12-3-4-12)11-21-13-2-1-5-17-9-13/h1-2,5,9,12,14-15,18-20H,3-4,6-8,10-11H2/t14-,15+,16?
InChIKeyQQYHRRULOXIXBH-XYPWUTKMSA-N
MW292.38 g/mol
LogP0.96
Rot. Bonds7

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

cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (PubChem CID 75367883) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.

Molecular Properties

Compound Namecis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
PubChem CID75367883
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namecis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol
SMILESO[C@@H]1CC(CNCC2CC2)(COc2cccnc2)C[C@@H]1O
InChIInChI=1S/C16H24N2O3/c19-14-6-16(7-15(14)20,10-18-8-12-3-4-12)11-21-13-2-1-5-17-9-13/h1-2,5,9,12,14-15,18-20H,3-4,6-8,10-11H2/t14-,15+,16?
InChIKeyQQYHRRULOXIXBH-XYPWUTKMSA-N
XLogP0.96
TPSA74.61 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The IUPAC name of cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol (CID 75367883) is cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol.
What is the SMILES notation for cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The canonical SMILES for cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is O[C@@H]1CC(CNCC2CC2)(COc2cccnc2)C[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
The InChIKey is QQYHRRULOXIXBH-XYPWUTKMSA-N. The full InChI is InChI=1S/C16H24N2O3/c19-14-6-16(7-15(14)20,10-18-8-12-3-4-12)11-21-13-2-1-5-17-9-13/h1-2,5,9,12,14-15,18-20H,3-4,6-8,10-11H2/t14-,15+,16?.
What are the key properties of cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol?
cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol has a molecular weight of 292.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-4-[(cyclopropylmethylamino)methyl]-4-(pyridin-3-yloxymethyl)cyclopentane-1,2-diol is sourced from PubChem (CID 75367883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).