[(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride

C6H16Cl2N2O — CID 112756799

IUPAC[(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride
SMILESCN1C[C@@H](N)C[C@H]1CO.Cl.Cl
InChIInChI=1S/C6H14N2O.2ClH/c1-8-3-5(7)2-6(8)4-9;;/h5-6,9H,2-4,7H2,1H3;2*1H/t5-,6-;;/m0../s1
InChIKeyPEWAQQIXOIAZLO-USPAICOZSA-N
MW203.11 g/mol
LogP-0.15
Rot. Bonds1

About [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride

[(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride (PubChem CID 112756799) has the molecular formula C6H16Cl2N2O and a molecular weight of 203.11 g/mol. Its IUPAC name is [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride.

Molecular Properties

Compound Name[(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride
PubChem CID112756799
Molecular FormulaC6H16Cl2N2O
Molecular Weight203.11 g/mol
Exact Mass202.06
IUPAC Name[(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride
SMILESCN1C[C@@H](N)C[C@H]1CO.Cl.Cl
InChIInChI=1S/C6H14N2O.2ClH/c1-8-3-5(7)2-6(8)4-9;;/h5-6,9H,2-4,7H2,1H3;2*1H/t5-,6-;;/m0../s1
InChIKeyPEWAQQIXOIAZLO-USPAICOZSA-N
XLogP-0.15
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.11
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride?
The IUPAC name of [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride (CID 112756799) is [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride.
What is the SMILES notation for [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride?
The canonical SMILES for [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride is CN1C[C@@H](N)C[C@H]1CO.Cl.Cl.
What is the InChIKey of [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride?
The InChIKey is PEWAQQIXOIAZLO-USPAICOZSA-N. The full InChI is InChI=1S/C6H14N2O.2ClH/c1-8-3-5(7)2-6(8)4-9;;/h5-6,9H,2-4,7H2,1H3;2*1H/t5-,6-;;/m0../s1.
What are the key properties of [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride?
[(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride has a molecular weight of 203.11 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-amino-1-methylpyrrolidin-2-yl]methanol;dihydrochloride is sourced from PubChem (CID 112756799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).