(2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol

C13H18N2O3 — CID 11265192

IUPAC(2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)CC(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C13H18N2O3/c16-8-13(18)12(17)7-9(10-3-1-5-14-10)11-4-2-6-15-11/h1-6,9,12-18H,7-8H2/t12-,13+/m0/s1
InChIKeyHPYJMBMPOHEWSO-QWHCGFSZSA-N
MW250.30 g/mol
LogP0.58
Rot. Bonds6

About (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol

(2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol (PubChem CID 11265192) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol
PubChem CID11265192
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name(2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol
SMILESOC[C@@H](O)[C@@H](O)CC(c1ccc[nH]1)c1ccc[nH]1
InChIInChI=1S/C13H18N2O3/c16-8-13(18)12(17)7-9(10-3-1-5-14-10)11-4-2-6-15-11/h1-6,9,12-18H,7-8H2/t12-,13+/m0/s1
InChIKeyHPYJMBMPOHEWSO-QWHCGFSZSA-N
XLogP0.58
TPSA92.27 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol with MolForge

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

Launch Full Analysis

Related Compounds

3,3-Di(1H-indol-3-yl)propane-1,2-diol
CID 22019312
1-(1H-indol-3-yl)-5-methylhexane-2,3-diol
CID 91011003
4,4-Bis(1H-pyrrol-2-yl)pentanol
CID 139078312
(2S)-3,3-bis(1H-indol-3-yl)propane-1,2-diol
CID 69589669
2-[3-prop-2-enoxy-1-(1H-pyrrol-2-yl)propyl]-1H-pyrrole
CID 45118198
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-(1H-indol-3-yl)pyrrolidine-3,4-diol
CID 46865360
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-(1H-pyrrol-2-yl)pyrrolidine-3,4-diol
CID 46865468
(2R,2'S,3R,5'S,7'S)-3-methoxy-5'-methyl-5-(1H-pyrrol-2-yl)spiro[3,4-dihydropyrrole-2,3'-4-oxa-18-azatricyclo[13.2.1.02,7]octadeca-1(17),15-diene];hydrate
CID 168305253
Fusarindole B
CID 92475848
3-[2-[[3-(3-hydroxypropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propan-1-ol
CID 10613479
4-(2-methoxyethyl)-2-[4-(2-methoxyethyl)-1H-pyrrol-2-yl]-1H-pyrrole
CID 10014911
2-(3-(Pyridin-2-yl)pyrrolidin-3-yl)ethanol
CID 18464532

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol?
The IUPAC name of (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol (CID 11265192) is (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol.
What is the SMILES notation for (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol?
The canonical SMILES for (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol is OC[C@@H](O)[C@@H](O)CC(c1ccc[nH]1)c1ccc[nH]1.
What is the InChIKey of (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol?
The InChIKey is HPYJMBMPOHEWSO-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H18N2O3/c16-8-13(18)12(17)7-9(10-3-1-5-14-10)11-4-2-6-15-11/h1-6,9,12-18H,7-8H2/t12-,13+/m0/s1.
What are the key properties of (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol?
(2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol has a molecular weight of 250.30 g/mol, XLogP of 0.58, 6 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-5,5-bis(1H-pyrrol-2-yl)pentane-1,2,3-triol is sourced from PubChem (CID 11265192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).