(2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol

C10H21NO3 — CID 52939732

IUPAC(2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol
SMILESCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-7-9(13)10(14)8(6-12)11-7/h7-14H,2-6H2,1H3/t7-,8-,9-,10-/m0/s1
InChIKeyDPMOGEIHEVCZMA-XKNYDFJKSA-N
MW203.28 g/mol
LogP-0.38
Rot. Bonds5

About (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol

(2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol (PubChem CID 52939732) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol
PubChem CID52939732
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol
SMILESCCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-7-9(13)10(14)8(6-12)11-7/h7-14H,2-6H2,1H3/t7-,8-,9-,10-/m0/s1
InChIKeyDPMOGEIHEVCZMA-XKNYDFJKSA-N
XLogP-0.38
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol?
The IUPAC name of (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol (CID 52939732) is (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol.
What is the SMILES notation for (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol?
The canonical SMILES for (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol is CCCCC[C@@H]1N[C@@H](CO)[C@H](O)[C@H]1O.
What is the InChIKey of (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol?
The InChIKey is DPMOGEIHEVCZMA-XKNYDFJKSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-4-5-7-9(13)10(14)8(6-12)11-7/h7-14H,2-6H2,1H3/t7-,8-,9-,10-/m0/s1.
What are the key properties of (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol?
(2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol has a molecular weight of 203.28 g/mol, XLogP of -0.38, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4S,5S)-2-(hydroxymethyl)-5-pentylpyrrolidine-3,4-diol is sourced from PubChem (CID 52939732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).