(2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol

C10H21NO3 — CID 57390610

IUPAC(2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol
SMILESCCCCCOC[C@H]1NC[C@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-14-7-8-10(13)9(12)6-11-8/h8-13H,2-7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyUIOQYAZKHZPLCV-KXUCPTDWSA-N
MW203.28 g/mol
LogP-0.11
Rot. Bonds6

About (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol

(2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol (PubChem CID 57390610) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol
PubChem CID57390610
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol
SMILESCCCCCOC[C@H]1NC[C@H](O)[C@@H]1O
InChIInChI=1S/C10H21NO3/c1-2-3-4-5-14-7-8-10(13)9(12)6-11-8/h8-13H,2-7H2,1H3/t8-,9+,10-/m1/s1
InChIKeyUIOQYAZKHZPLCV-KXUCPTDWSA-N
XLogP-0.11
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
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 (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol?
The IUPAC name of (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol (CID 57390610) is (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol.
What is the SMILES notation for (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol?
The canonical SMILES for (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol is CCCCCOC[C@H]1NC[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol?
The InChIKey is UIOQYAZKHZPLCV-KXUCPTDWSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-3-4-5-14-7-8-10(13)9(12)6-11-8/h8-13H,2-7H2,1H3/t8-,9+,10-/m1/s1.
What are the key properties of (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol?
(2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol has a molecular weight of 203.28 g/mol, XLogP of -0.11, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S)-2-(pentoxymethyl)pyrrolidine-3,4-diol is sourced from PubChem (CID 57390610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).