(3S,4R)-4-methoxypyrrolidin-3-ol

C5H11NO2 — CID 59034600

IUPAC(3S,4R)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C5H11NO2/c1-8-5-3-6-2-4(5)7/h4-7H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyNLVZYRDCKUFONR-CRCLSJGQSA-N
MW117.15 g/mol
LogP-1.03
Rot. Bonds1

About (3S,4R)-4-methoxypyrrolidin-3-ol

(3S,4R)-4-methoxypyrrolidin-3-ol (PubChem CID 59034600) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (3S,4R)-4-methoxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-methoxypyrrolidin-3-ol
PubChem CID59034600
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(3S,4R)-4-methoxypyrrolidin-3-ol
SMILESCO[C@@H]1CNC[C@@H]1O
InChIInChI=1S/C5H11NO2/c1-8-5-3-6-2-4(5)7/h4-7H,2-3H2,1H3/t4-,5+/m0/s1
InChIKeyNLVZYRDCKUFONR-CRCLSJGQSA-N
XLogP-1.03
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxyazepane-3,4,5-triol
CID 18417377
(3R,4R)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293919
(4S)-4-propan-2-yloxypyrrolidin-3-ol
CID 67293813
4-(3,4-dimethoxypyrrolidin-1-yl)pyrrolidin-3-ol
CID 103533926
4-(3-methoxypropoxy)pyrrolidin-3-ol
CID 63703164
(3R,4R)-4-(methoxymethyl)pyrrolidin-3-ol
CID 11182838
3-fluoro-4-methoxypyrrolidine
CID 22603647
(4S)-4-(1-methylcyclopentyl)oxypyrrolidin-3-ol
CID 67300075
[(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate
CID 175189590
[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate
CID 89405614
(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride
CID 154810015
(3S,4S)-4-pentoxypyrrolidin-3-ol
CID 70454263

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-methoxypyrrolidin-3-ol?
The IUPAC name of (3S,4R)-4-methoxypyrrolidin-3-ol (CID 59034600) is (3S,4R)-4-methoxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4R)-4-methoxypyrrolidin-3-ol?
The canonical SMILES for (3S,4R)-4-methoxypyrrolidin-3-ol is CO[C@@H]1CNC[C@@H]1O.
What is the InChIKey of (3S,4R)-4-methoxypyrrolidin-3-ol?
The InChIKey is NLVZYRDCKUFONR-CRCLSJGQSA-N. The full InChI is InChI=1S/C5H11NO2/c1-8-5-3-6-2-4(5)7/h4-7H,2-3H2,1H3/t4-,5+/m0/s1.
What are the key properties of (3S,4R)-4-methoxypyrrolidin-3-ol?
(3S,4R)-4-methoxypyrrolidin-3-ol has a molecular weight of 117.15 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-methoxypyrrolidin-3-ol is sourced from PubChem (CID 59034600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).