[(2S,3R)-3-methylpyrrolidin-2-yl]methanol

C6H13NO — CID 66599997

IUPAC[(2S,3R)-3-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1CCN[C@@H]1CO
InChIInChI=1S/C6H13NO/c1-5-2-3-7-6(5)4-8/h5-8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySTWLHKFAJXALLT-PHDIDXHHSA-N
MW115.18 g/mol
LogP-0.02
Rot. Bonds1

About [(2S,3R)-3-methylpyrrolidin-2-yl]methanol

[(2S,3R)-3-methylpyrrolidin-2-yl]methanol (PubChem CID 66599997) has the molecular formula C6H13NO and a molecular weight of 115.18 g/mol. Its IUPAC name is [(2S,3R)-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3R)-3-methylpyrrolidin-2-yl]methanol
PubChem CID66599997
Molecular FormulaC6H13NO
Molecular Weight115.18 g/mol
Exact Mass115.10
IUPAC Name[(2S,3R)-3-methylpyrrolidin-2-yl]methanol
SMILESC[C@@H]1CCN[C@@H]1CO
InChIInChI=1S/C6H13NO/c1-5-2-3-7-6(5)4-8/h5-8H,2-4H2,1H3/t5-,6-/m1/s1
InChIKeySTWLHKFAJXALLT-PHDIDXHHSA-N
XLogP-0.02
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylpiperidin-2-yl)methanol
CID 19898861
(3-methylpiperidin-2-yl)methanol;hydrochloride
CID 71756911
2-(3-methylpyrrolidin-2-yl)ethanol
CID 55286766
2-(hydroxymethyl)-3-methylpiperidin-4-ol
CID 77387082
ethane;(3-methylpyrrolidin-2-yl)methanamine
CID 177053684
(2R)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 54340286
[(2S,3R)-3-methylpiperazin-2-yl]methanol
CID 125425294
N,N-dimethyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 103846085
[(2R,3R)-2-ethylpyrrolidin-3-yl]methanol
CID 124705557
2-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 73200189
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
3-(3-methylpiperidin-2-yl)propan-1-ol
CID 78065811

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,3R)-3-methylpyrrolidin-2-yl]methanol (CID 66599997) is [(2S,3R)-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,3R)-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,3R)-3-methylpyrrolidin-2-yl]methanol is C[C@@H]1CCN[C@@H]1CO.
What is the InChIKey of [(2S,3R)-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is STWLHKFAJXALLT-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13NO/c1-5-2-3-7-6(5)4-8/h5-8H,2-4H2,1H3/t5-,6-/m1/s1.
What are the key properties of [(2S,3R)-3-methylpyrrolidin-2-yl]methanol?
[(2S,3R)-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 115.18 g/mol, XLogP of -0.02, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 66599997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).