(2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol

C7H16NO2+ — CID 6951375

IUPAC(2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol
SMILESOC[C@@H](O)C[NH+]1CCCC1
InChIInChI=1S/C7H15NO2/c9-6-7(10)5-8-3-1-2-4-8/h7,9-10H,1-6H2/p+1/t7-/m0/s1
InChIKeyMFPZRSWYUKWRIQ-ZETCQYMHSA-O
MW146.21 g/mol
LogP-1.98
Rot. Bonds3

About (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol

(2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol (PubChem CID 6951375) has the molecular formula C7H16NO2+ and a molecular weight of 146.21 g/mol. Its IUPAC name is (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol.

Molecular Properties

Compound Name(2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol
PubChem CID6951375
Molecular FormulaC7H16NO2+
Molecular Weight146.21 g/mol
Exact Mass146.12
IUPAC Name(2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol
SMILESOC[C@@H](O)C[NH+]1CCCC1
InChIInChI=1S/C7H15NO2/c9-6-7(10)5-8-3-1-2-4-8/h7,9-10H,1-6H2/p+1/t7-/m0/s1
InChIKeyMFPZRSWYUKWRIQ-ZETCQYMHSA-O
XLogP-1.98
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-1.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-[(3S)-3-(hydroxymethyl)piperidin-1-ium-1-yl]propane-1,2-diol
CID 6591382
[(2S)-3-azaniumyl-2-hydroxypropyl]-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-methylazanium
CID 2260105
(2R)-1-(4-methoxyphenyl)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 6921279
3-[(2R)-2-hydroxy-3-pyrrolidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 1422079
1-(4-ethylphenoxy)-3-piperidin-1-ium-1-ylpropan-2-ol
CID 4743198
propane-1,2,3-triol;tetrahydrochloride
CID 163704230
CID 160843248
CID 160843248
gold;propane-1,2,3-triol
CID 87239797
(propane-1,2,3-triol);pentahydrochloride
CID 173419242
(2S)-1-[2-(1-adamantyl)ethoxy]-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7058426
(2S)-1-naphthalen-1-yloxy-3-piperidin-1-ium-1-ylpropan-2-ol
CID 7385672
3-[(2R)-2-hydroxy-3-piperidin-1-ium-1-ylpropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 6949688

Frequently Asked Questions

What is the IUPAC name of (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol?
The IUPAC name of (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol (CID 6951375) is (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol.
What is the SMILES notation for (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol?
The canonical SMILES for (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol is OC[C@@H](O)C[NH+]1CCCC1.
What is the InChIKey of (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol?
The InChIKey is MFPZRSWYUKWRIQ-ZETCQYMHSA-O. The full InChI is InChI=1S/C7H15NO2/c9-6-7(10)5-8-3-1-2-4-8/h7,9-10H,1-6H2/p+1/t7-/m0/s1.
What are the key properties of (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol?
(2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol has a molecular weight of 146.21 g/mol, XLogP of -1.98, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-pyrrolidin-1-ium-1-ylpropane-1,2-diol is sourced from PubChem (CID 6951375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).