[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium

C14H24N2O3+2 — CID 24916810

IUPAC[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium
SMILESC[C@H]1[NH2+][C@H](C[NH2+][C@@H](CO)c2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H22N2O3/c1-9-13(18)14(19)11(16-9)7-15-12(8-17)10-5-3-2-4-6-10/h2-6,9,11-19H,7-8H2,1H3/p+2/t9-,11-,12+,13+,14-/m1/s1
InChIKeyKHLOMLBNZUMIHX-QKGWFMCXSA-P
MW268.36 g/mol
LogP-2.66
Rot. Bonds5

About [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium

[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium (PubChem CID 24916810) has the molecular formula C14H24N2O3+2 and a molecular weight of 268.36 g/mol. Its IUPAC name is [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium.

Molecular Properties

Compound Name[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium
PubChem CID24916810
Molecular FormulaC14H24N2O3+2
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium
SMILESC[C@H]1[NH2+][C@H](C[NH2+][C@@H](CO)c2ccccc2)[C@@H](O)[C@H]1O
InChIInChI=1S/C14H22N2O3/c1-9-13(18)14(19)11(16-9)7-15-12(8-17)10-5-3-2-4-6-10/h2-6,9,11-19H,7-8H2,1H3/p+2/t9-,11-,12+,13+,14-/m1/s1
InChIKeyKHLOMLBNZUMIHX-QKGWFMCXSA-P
XLogP-2.66
TPSA93.91 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-2.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium?
The IUPAC name of [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium (CID 24916810) is [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium.
What is the SMILES notation for [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium?
The canonical SMILES for [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium is C[C@H]1[NH2+][C@H](C[NH2+][C@@H](CO)c2ccccc2)[C@@H](O)[C@H]1O.
What is the InChIKey of [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium?
The InChIKey is KHLOMLBNZUMIHX-QKGWFMCXSA-P. The full InChI is InChI=1S/C14H22N2O3/c1-9-13(18)14(19)11(16-9)7-15-12(8-17)10-5-3-2-4-6-10/h2-6,9,11-19H,7-8H2,1H3/p+2/t9-,11-,12+,13+,14-/m1/s1.
What are the key properties of [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium?
[(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium has a molecular weight of 268.36 g/mol, XLogP of -2.66, 5 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S,5R)-3,4-dihydroxy-5-methylpyrrolidin-1-ium-2-yl]methyl-[(1R)-2-hydroxy-1-phenylethyl]azanium is sourced from PubChem (CID 24916810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).