[(2S)-4-methoxypyrrolidin-2-yl]methanol

C6H13NO2 — CID 159031091

IUPAC[(2S)-4-methoxypyrrolidin-2-yl]methanol
SMILESCOC1CN[C@H](CO)C1
InChIInChI=1S/C6H13NO2/c1-9-6-2-5(4-8)7-3-6/h5-8H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyJUWWYVCNZFCWNH-ZBHICJROSA-N
MW131.18 g/mol
LogP-0.64
Rot. Bonds2

About [(2S)-4-methoxypyrrolidin-2-yl]methanol

[(2S)-4-methoxypyrrolidin-2-yl]methanol (PubChem CID 159031091) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is [(2S)-4-methoxypyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-methoxypyrrolidin-2-yl]methanol
PubChem CID159031091
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name[(2S)-4-methoxypyrrolidin-2-yl]methanol
SMILESCOC1CN[C@H](CO)C1
InChIInChI=1S/C6H13NO2/c1-9-6-2-5(4-8)7-3-6/h5-8H,2-4H2,1H3/t5-,6?/m0/s1
InChIKeyJUWWYVCNZFCWNH-ZBHICJROSA-N
XLogP-0.64
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2R,4S)-4-methoxypyrrolidin-2-yl]ethanol
CID 155821329
ethane;(5-methoxypiperidin-2-yl)methanol
CID 156651276
(4-methoxypyrrolidin-2-yl)methanamine
CID 61214968
(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 119057051
4-methoxy-2-(methoxymethyl)pyrrolidine;hydrochloride
CID 122236424
(2R,4S)-2-butyl-4-methoxypyrrolidine
CID 99994244
[(2R,4R)-4-(difluoromethoxy)pyrrolidin-2-yl]methanol
CID 122554867
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]acetonitrile
CID 118498498
[(2R,4S)-4-dodecoxypyrrolidin-2-yl]methanol
CID 155531919
[(2S,4R)-4-propylpyrrolidin-2-yl]methanol
CID 89351797
[4-[tert-butyl(dimethyl)silyl]oxypyrrolidin-2-yl]methanol
CID 19990882
ethyl 2-[(2S,4S)-4-methoxypyrrolidin-2-yl]acetate
CID 97300328

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methoxypyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-4-methoxypyrrolidin-2-yl]methanol (CID 159031091) is [(2S)-4-methoxypyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-methoxypyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-4-methoxypyrrolidin-2-yl]methanol is COC1CN[C@H](CO)C1.
What is the InChIKey of [(2S)-4-methoxypyrrolidin-2-yl]methanol?
The InChIKey is JUWWYVCNZFCWNH-ZBHICJROSA-N. The full InChI is InChI=1S/C6H13NO2/c1-9-6-2-5(4-8)7-3-6/h5-8H,2-4H2,1H3/t5-,6?/m0/s1.
What are the key properties of [(2S)-4-methoxypyrrolidin-2-yl]methanol?
[(2S)-4-methoxypyrrolidin-2-yl]methanol has a molecular weight of 131.18 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methoxypyrrolidin-2-yl]methanol is sourced from PubChem (CID 159031091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).